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

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-1,3-dihydropyrazol-2-yl)ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(3-phenyl-3-pyrazolin-1-yl)ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3CC=C(N3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3CC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c1-14-7-8-18-16(11-14)12-19(27-18)21(25)26-13-20(24)23-10-9-17(22-23)15-5-3-2-4-6-15/h2-6,9,12,14,22H,7-8,10-11,13H2,1H3/t14-/m0/s1