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

Systemtic Name: [1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-cumidino-2-keto-1-methyl-ethyl) ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H25NO3S/c1-13(2)15-8-10-17(11-9-15)22-20(23)14(3)25-21(24)19-12-16-6-4-5-7-18(16)26-19/h8-14H,4-7H2,1-3H3,(H,22,23)