methyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C18H18BrNO5S MolecularWeight: 440.30822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C18H18BrNO5S/c1-23-15-8-13(18(22)25-3)14(9-16(15)24-2)20-17(21)10-26-12-6-4-11(19)5-7-12/h4-9H,10H2,1-3H3,(H,20,21)