ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(phenyl)amino]-3-(4-cyanophenyl)-3-methylsulfanyl-propanoate

Systemtic Name: ethyl 3-[3H-benzimidazol-5-yloxycarbonyl(phenyl)amino]-3-(4-cyanophenyl)-3-methylsulfanyl-propanoate Openeye Name: ethyl 3-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]-3-(4-cyanophenyl)-3-methylsulfanyl-propanoate CAS Name: 3-(N-[3H-benzimidazol-5-yloxy(oxo)methyl]anilino)-3-(4-cyanophenyl)-3-(methylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]-3-(4-cyanophenyl)-3-methylsulfanylpropanoate Traditional Name: 3-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]-3-(4-cyanophenyl)-3-(methylthio)propionic acid ethyl ester Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C#N)(N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)N=CN4)SC

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)C#N)(N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)N=CN4)SC

InChI

InChI=1S/C27H24N4O4S/c1-3-34-25(32)16-27(36-2,20-11-9-19(17-28)10-12-20)31(21-7-5-4-6-8-21)26(33)35-22-13-14-23-24(15-22)30-18-29-23/h4-15,18H,3,16H2,1-2H3,(H,29,30)