methyl 2-azanyl-3-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 2-azanyl-3-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Openeye Name: methyl 2-amino-3-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-amino-3-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-amino-3-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-amino-3-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CSC2=NC3=CC=CC=C3N2)N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CSC2=NC3=CC=CC=C3N2)N

InChI

InChI=1S/C16H15N3O2S/c1-21-15(20)11-6-4-5-10(14(11)17)9-22-16-18-12-7-2-3-8-13(12)19-16/h2-8H,9,17H2,1H3,(H,18,19)