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

Systemtic Name: [2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[[3-(p-tolylmethyl)thiazol-2-ylidene]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic 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] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[[3-(4-methylbenzyl)-4-thiazolin-2-ylidene]amino]ethyl] ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S2/c1-14-5-7-15(8-6-14)12-23-10-11-28-20(23)22-17(24)13-26-19(25)16-4-3-9-21-18(16)27-2/h3-11H,12-13H2,1-2H3