[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c30-25(17-32-26(31)23-15-19-11-7-8-14-22(19)33-23)27-24-16-21(18-9-3-1-4-10-18)28-29(24)20-12-5-2-6-13-20/h1-6,9-10,12-13,15-16H,7-8,11,14,17H2,(H,27,30)