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

Systemtic Name: 4-[2-(4-ethoxyphenyl)sulfanylethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-3-methylbenzoic acid Traditional Name: 3-methyl-4-[[2-(p-phenetylthio)acetyl]amino]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C18H19NO4S/c1-3-23-14-5-7-15(8-6-14)24-11-17(20)19-16-9-4-13(18(21)22)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20)(H,21,22)