[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-13-19(21(28)26(25(13)2)14-8-4-3-5-9-14)24-17(27)12-30-22(29)20-18(23)15-10-6-7-11-16(15)31-20/h3-11H,12H2,1-2H3,(H,24,27)