O1-[(4-morpholin-4-yl-1,3-benzothiazol-2-yl)sulfanyl] O4-phenyl 3-methyl-2-phenyl-butanedioate

Systemtic Name: O1-[(4-morpholin-4-yl-1,3-benzothiazol-2-yl)sulfanyl] O4-phenyl 3-methyl-2-phenyl-butanedioate Openeye Name: O1-[(4-morpholino-1,3-benzothiazol-2-yl)sulfanyl] O4-phenyl 3-methyl-2-phenyl-butanedioate CAS Name: 3-methyl-2-phenylbutanedioic acid O1-[[4-(4-morpholinyl)-1,3-benzothiazol-2-yl]thio] ester O4-phenyl ester IUPAC Name: 1-O-[(4-morpholin-4-yl-1,3-benzothiazol-2-yl)sulfanyl] 4-O-phenyl 3-methyl-2-phenylbutanedioate Traditional Name: 3-methyl-2-phenyl-succinic acid O1-[(4-morpholino-1,3-benzothiazol-2-yl)thio] ester O4-phenyl ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)C(=O)OSC2=NC3=C(C=CC=C3S2)N4CCOCC4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

CC(C(C1=CC=CC=C1)C(=O)OSC2=NC3=C(C=CC=C3S2)N4CCOCC4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O5S2/c1-19(26(31)34-21-11-6-3-7-12-21)24(20-9-4-2-5-10-20)27(32)35-37-28-29-25-22(13-8-14-23(25)36-28)30-15-17-33-18-16-30/h2-14,19,24H,15-18H2,1H3