[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[3-(p-tolylmethyl)thiazol-2-ylidene]amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[3-[(4-methylphenyl)methyl]-2-thiazolylidene]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[[3-(4-methylbenzyl)-4-thiazolin-2-ylidene]amino]ethyl] ester Formula: C21H19N3O7S2 MolecularWeight: 489.52146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7S2/c1-14-3-5-15(6-4-14)12-23-9-10-32-21(23)22-19(25)13-31-20(26)16-7-8-18(33(2,29)30)17(11-16)24(27)28/h3-11H,12-13H2,1-2H3