ethyl 2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-imidazolin-2-ylthio)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NCCN3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NCCN3

InChI

InChI=1S/C17H23N3O3S2/c1-3-23-16(22)14-11-5-4-10(2)8-12(11)25-15(14)20-13(21)9-24-17-18-6-7-19-17/h10H,3-9H2,1-2H3,(H,18,19)(H,20,21)