N-[(6R)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethoxyphenyl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethoxyphenyl)-6-methyl-quinoline-4-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-ethoxyphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethoxyphenyl)-6-methyl-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamide Traditional Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-methyl-2-p-phenetyl-cinchoninamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)OCC

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)OCC

InChI

InChI=1S/C30H31N3O3S/c1-4-18-7-12-21-26(15-18)37-30(27(21)28(31)34)33-29(35)23-16-25(19-8-10-20(11-9-19)36-5-2)32-24-13-6-17(3)14-22(23)24/h6,8-11,13-14,16,18H,4-5,7,12,15H2,1-3H3,(H2,31,34)(H,33,35)/t18-/m1/s1