methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-cyanophenyl)ethanoate

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-cyanophenyl)ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-cyanophenyl)acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-(3-cyanophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-cyanophenyl)acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-(3-cyanophenyl)acetic acid methyl ester Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC(=C1)C#N)SC2=NC3=C(C=CC=C3N2)C(=O)N

Isomeric SMILES

COC(=O)C(C1=CC=CC(=C1)C#N)SC2=NC3=C(C=CC=C3N2)C(=O)N

InChI

InChI=1S/C18H14N4O3S/c1-25-17(24)15(11-5-2-4-10(8-11)9-19)26-18-21-13-7-3-6-12(16(20)23)14(13)22-18/h2-8,15H,1H3,(H2,20,23)(H,21,22)