ethyl 4-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[(4-bromobenzyl)thio]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C19H20BrNO3S/c1-3-24-19(23)15-6-9-17(13(2)10-15)21-18(22)12-25-11-14-4-7-16(20)8-5-14/h4-10H,3,11-12H2,1-2H3,(H,21,22)