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

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-cyanoanilino)-1-methyl-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 [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 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-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C21H21N3O4S/c1-12(19(26)24-15-9-7-14(11-22)8-10-15)28-21(27)18-16-5-3-4-6-17(16)29-20(18)23-13(2)25/h7-10,12H,3-6H2,1-2H3,(H,23,25)(H,24,26)