4-[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 4-[[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(4-ethoxyanilino)-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 4-[[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-keto-2-(p-phenetidino)ethyl]thio]methyl]benzoate Formula: C18H18NO4S- MolecularWeight: 344.40482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H19NO4S/c1-2-23-16-9-7-15(8-10-16)19-17(20)12-24-11-13-3-5-14(6-4-13)18(21)22/h3-10H,2,11-12H2,1H3,(H,19,20)(H,21,22)/p-1