ethyl 4-azanyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-azanyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-amino-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-amino-3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-amino-3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N)CSC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N)CSC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C18H19N3O3S/c1-3-24-17(22)11-4-6-14(19)12(8-11)10-25-18-20-15-7-5-13(23-2)9-16(15)21-18/h4-9H,3,10,19H2,1-2H3,(H,20,21)