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

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-3-11-9-12(17(23)24-4-2)16(26-11)21-15(22)10-25-18-19-13-7-5-6-8-14(13)20-18/h5-9H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)