[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C16H16BrNO3S2 MolecularWeight: 414.33714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CSCC2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CSCC2=CC=CS2)Br

InChI

InChI=1S/C16H16BrNO3S2/c1-11-7-12(4-5-14(11)17)18-15(19)8-21-16(20)10-22-9-13-3-2-6-23-13/h2-7H,8-10H2,1H3,(H,18,19)