ethyl 2-azanyl-4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[(1H-benzimidazol-2-ylthio)methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[(1H-benzimidazol-2-ylthio)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3N2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3N2)C(=O)NC)N

InChI

InChI=1S/C17H18N4O3S2/c1-3-24-16(23)12-9(13(15(22)19-2)26-14(12)18)8-25-17-20-10-6-4-5-7-11(10)21-17/h4-7H,3,8,18H2,1-2H3,(H,19,22)(H,20,21)