[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H20ClN3O4S/c1-12-8-17(18(28-3)9-14(12)22)25-21(27)13(2)29-20(26)11-30-19-10-23-15-6-4-5-7-16(15)24-19/h4-10,13H,11H2,1-3H3,(H,25,27)