[1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(5-keto-1-phenyl-3-pyrazolin-3-yl)carbamoyl]propyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C22H23N3O4S/c1-2-16(29-22(28)18-12-14-8-6-7-11-17(14)30-18)21(27)23-19-13-20(26)25(24-19)15-9-4-3-5-10-15/h3-5,9-10,12-13,16,24H,2,6-8,11H2,1H3,(H,23,27)