methyl 2-[(4S)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanyl-2-sulfanylidene-1,3-thiazolidin-4-yl]ethanoate

Systemtic Name: methyl 2-[(4S)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanyl-2-sulfanylidene-1,3-thiazolidin-4-yl]ethanoate Openeye Name: methyl 2-[(4S)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-hydroxy-2-thioxo-thiazolidin-4-yl]acetate CAS Name: 2-[(4S)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-hydroxy-2-sulfanylidene-4-thiazolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-yl]acetate Traditional Name: 2-[(4S)-4-hydroxy-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-thiazolidin-4-yl]acetic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=S)SCC3(CC(=O)OC)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=S)SC[C@]3(CC(=O)OC)O

InChI

InChI=1S/C17H19N3O4S2/c1-11-14(15(22)20(18(11)2)12-7-5-4-6-8-12)19-16(25)26-10-17(19,23)9-13(21)24-3/h4-8,23H,9-10H2,1-3H3/t17-/m0/s1