[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N)Cl)C

InChI

InChI=1S/C18H18ClN3O4S/c1-10-7-11(2)21-17(19)16(10)18(25)26-8-15(24)22-12-5-3-4-6-13(12)27-9-14(20)23/h3-7H,8-9H2,1-2H3,(H2,20,23)(H,22,24)