[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)Br

InChI

InChI=1S/C19H16BrN3O3S/c1-12-6-7-14(13(20)8-12)22-17(24)10-26-19(25)11-27-18-9-21-15-4-2-3-5-16(15)23-18/h2-9H,10-11H2,1H3,(H,22,24)