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

Systemtic Name: [2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-[[3-(p-tolylmethyl)thiazol-2-ylidene]amino]ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic 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-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[[3-(4-methylbenzyl)-4-thiazolin-2-ylidene]amino]ethyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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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

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20N2O5S2/c1-15-3-5-16(6-4-15)13-23-11-12-29-21(23)22-19(24)14-28-20(25)17-7-9-18(10-8-17)30(2,26)27/h3-12H,13-14H2,1-2H3