[(2R,3S,4R)-2,3,4-triacetyloxy-4-[(2R,3R)-2-[(4-methoxyphenyl)carbamoyl]-4-[(4-methoxyphenyl)diazenyl]-5-[methyl-(phenylmethyl)amino]-2-phenyl-3H-thiophen-3-yl]butyl] ethanoate

Systemtic Name: [(2R,3S,4R)-2,3,4-triacetyloxy-4-[(2R,3R)-2-[(4-methoxyphenyl)carbamoyl]-4-[(4-methoxyphenyl)diazenyl]-5-[methyl-(phenylmethyl)amino]-2-phenyl-3H-thiophen-3-yl]butyl] ethanoate Openeye Name: [(2R,3S,4R)-2,3,4-triacetoxy-4-[(2R,3R)-5-[benzyl(methyl)amino]-4-(4-methoxyphenyl)azo-2-[(4-methoxyphenyl)carbamoyl]-2-phenyl-3H-thiophen-3-yl]butyl] acetate CAS Name: acetic acid [(2R,3S,4R)-2,3,4-triacetyloxy-4-[(2R,3R)-2-[(4-methoxyanilino)-oxomethyl]-4-(4-methoxyphenyl)azo-5-[methyl-(phenylmethyl)amino]-2-phenyl-3H-thiophen-3-yl]butyl] ester IUPAC Name: [(2R,3S,4R)-2,3,4-triacetyloxy-4-[(2R,3R)-5-[benzyl(methyl)amino]-2-[(4-methoxyphenyl)carbamoyl]-4-[(4-methoxyphenyl)diazenyl]-2-phenyl-3H-thiophen-3-yl]butyl] acetate Traditional Name: acetic acid [(2R,3S,4R)-2,3,4-triacetoxy-4-[(2R,3R)-5-[benzyl(methyl)amino]-4-(4-methoxyphenyl)azo-2-[(4-methoxyphenyl)carbamoyl]-2-phenyl-3H-thiophen-3-yl]butyl] ester Formula: C45H48N4O11S MolecularWeight: 852.94782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C1C(=C(SC1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)N(C)CC4=CC=CC=C4)N=NC5=CC=C(C=C5)OC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@@H]([C@H]1C(=C(S[C@]1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)N(C)CC4=CC=CC=C4)N=NC5=CC=C(C=C5)OC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C45H48N4O11S/c1-28(50)57-27-38(58-29(2)51)41(59-30(3)52)42(60-31(4)53)39-40(48-47-35-20-24-37(56-7)25-21-35)43(49(5)26-32-14-10-8-11-15-32)61-45(39,33-16-12-9-13-17-33)44(54)46-34-18-22-36(55-6)23-19-34/h8-25,38-39,41-42H,26-27H2,1-7H3,(H,46,54)/t38-,39-,41-,42-,45+/m1/s1