2-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]thio]benzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O5S/c1-11(21)19-12-7-8-15(25-2)14(9-12)20-17(22)10-26-16-6-4-3-5-13(16)18(23)24/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)