[1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]propan-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]propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]ethyl] 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]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-[(5-keto-1-phenyl-3-pyrazolin-3-yl)amino]-1-methyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-13(28-21(27)17-11-14-7-5-6-10-16(14)29-17)20(26)22-18-12-19(25)24(23-18)15-8-3-2-4-9-15/h2-4,8-9,11-13,23H,5-7,10H2,1H3,(H,22,26)