ethyl 4-[2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-allyl-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-4-oxo-3-prop-2-enyl-5-thiazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-allyl-4-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]thiazolidin-5-yl]acetyl]amino]benzoic acid ethyl ester Formula: C28H29N5O5S MolecularWeight: 547.62536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)S2)CC=C

InChI

InChI=1S/C28H29N5O5S/c1-5-16-32-25(35)22(17-23(34)29-20-14-12-19(13-15-20)27(37)38-6-2)39-28(32)30-24-18(3)31(4)33(26(24)36)21-10-8-7-9-11-21/h5,7-15,22H,1,6,16-17H2,2-4H3,(H,29,34)