[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H23NO4S/c1-12-4-9-17-18(11-27-19(17)10-12)21(25)26-14(3)20(24)22-16-7-5-15(6-8-16)13(2)23/h5-8,11-12,14H,4,9-10H2,1-3H3,(H,22,24)