ethyl 3-azanyl-4-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-thiophene-2-carboxylate CAS Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-[(2-ethoxy-2-oxoethyl)thio]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylate Traditional Name: 3-amino-4-(1H-benzimidazol-2-yl)-5-[(2-ethoxy-2-keto-ethyl)thio]thiophene-2-carboxylic acid ethyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H19N3O4S2/c1-3-24-12(22)9-26-18-13(14(19)15(27-18)17(23)25-4-2)16-20-10-7-5-6-8-11(10)21-16/h5-8H,3-4,9,19H2,1-2H3,(H,20,21)