[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-12-6-7-13(2)16(8-12)24-11-18(22)23-10-17(21)20-15-5-3-4-14(19)9-15/h3-9H,10-11H2,1-2H3,(H,20,21)