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

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)C2=CSC3=C2CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-14-11-19(24(23-14)15-7-3-2-4-8-15)22-20(25)12-27-21(26)17-13-28-18-10-6-5-9-16(17)18/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,22,25)