[(4Z)-4-[4-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanylidene-6-propan-2-yl-cyclohexa-1,5-dien-1-yl] 2-methylpropanoate

Systemtic Name: [(4Z)-4-[4-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanylidene-6-propan-2-yl-cyclohexa-1,5-dien-1-yl] 2-methylpropanoate Openeye Name: [(4Z)-6-isopropyl-4-[4-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxo-cyclohexa-1,5-dien-1-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(4Z)-4-[5-mercapto-4-[4-methoxy-3-(1-pyrrolidinyl)phenyl]-1,2-dihydropyrazol-3-ylidene]-3-oxo-6-propan-2-yl-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [(4Z)-4-[4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxo-6-propan-2-ylcyclohexa-1,5-dien-1-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(4Z)-6-isopropyl-3-keto-4-[5-mercapto-4-(4-methoxy-3-pyrrolidino-phenyl)-3-pyrazolin-3-ylidene]cyclohexa-1,5-dien-1-yl] ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C(NN2)S)C3=CC(=C(C=C3)OC)N4CCCC4)C(=O)C=C1OC(=O)C(C)C

Isomeric SMILES

CC(C)C1=C/C(=C/2\C(=C(NN2)S)C3=CC(=C(C=C3)OC)N4CCCC4)/C(=O)C=C1OC(=O)C(C)C

InChI

InChI=1S/C27H33N3O4S/c1-15(2)18-13-19(21(31)14-23(18)34-27(32)16(3)4)25-24(26(35)29-28-25)17-8-9-22(33-5)20(12-17)30-10-6-7-11-30/h8-9,12-16,28-29,35H,6-7,10-11H2,1-5H3/b25-19-