methyl 4-[[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazin-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazin-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-allyl-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-4-oxo-1,3-thiazine-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazin-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazine-6-carbonyl]amino]benzoate Traditional Name: 4-[[3-allyl-4-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-1,3-thiazine-6-carbonyl]amino]benzoic acid methyl ester Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)OC)CC=C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)OC)CC=C

InChI

InChI=1S/C27H25N5O5S/c1-5-15-31-22(33)16-21(24(34)28-19-13-11-18(12-14-19)26(36)37-4)38-27(31)29-23-17(2)30(3)32(25(23)35)20-9-7-6-8-10-20/h5-14,16H,1,15H2,2-4H3,(H,28,34)