[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)C

InChI

InChI=1S/C22H26N2O4S/c1-4-15-9-7-8-13(2)20(15)24-18(26)12-28-22(27)19-16-10-5-6-11-17(16)29-21(19)23-14(3)25/h7-9H,4-6,10-12H2,1-3H3,(H,23,25)(H,24,26)