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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C21H23NO4S/c1-3-14-8-10-15(11-9-14)17(24)12-26-21(25)19-16-6-4-5-7-18(16)27-20(19)22-13(2)23/h8-11H,3-7,12H2,1-2H3,(H,22,23)