[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C(C)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C(C)C)C=C1

InChI

InChI=1S/C22H23NO4S/c1-13(2)21(25)23-17-8-6-15(7-9-17)18(24)12-27-22(26)20-11-16-5-4-14(3)10-19(16)28-20/h4-10,13,20H,11-12H2,1-3H3,(H,23,25)