4-[2-(4-bromophenyl)sulfanylethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(4-bromophenyl)sulfanylethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(4-bromophenyl)thio]acetyl]amino]-3-methyl-benzoic acid Formula: C16H14BrNO3S MolecularWeight: 380.25626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO3S/c1-10-8-11(16(20)21)2-7-14(10)18-15(19)9-22-13-5-3-12(17)4-6-13/h2-8H,9H2,1H3,(H,18,19)(H,20,21)