methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(hydroxymethyl)phenyl]ethanoate

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(hydroxymethyl)phenyl]ethanoate Openeye Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(hydroxymethyl)phenyl]acetate CAS Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-[4-(hydroxymethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(hydroxymethyl)phenyl]acetate Traditional Name: 2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]-2-(4-methylolphenyl)acetic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-25-17(24)15(11-7-5-10(9-22)6-8-11)26-18-20-13-4-2-3-12(16(19)23)14(13)21-18/h2-8,15,22H,9H2,1H3,(H2,19,23)(H,20,21)