3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-[[4-(p-tolylsulfanylmethyl)benzoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[4-[(p-tolylthio)methyl]benzoyl]amino]-2-thenoic acid Formula: C20H17NO3S2 MolecularWeight: 383.48388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(SC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(SC=C3)C(=O)O

InChI

InChI=1S/C20H17NO3S2/c1-13-2-8-16(9-3-13)26-12-14-4-6-15(7-5-14)19(22)21-17-10-11-25-18(17)20(23)24/h2-11H,12H2,1H3,(H,21,22)(H,23,24)