methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C17H17N3O3S2/c1-3-10-8-11(16(22)23-2)15(25-10)20-14(21)9-24-17-18-12-6-4-5-7-13(12)19-17/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21)