2-[(2-carboxyphenyl)-ethylsulfanylcarbothioyl-amino]benzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)-ethylsulfanylcarbothioyl-amino]benzoic acid Openeye Name: 2-(2-carboxy-N-ethylsulfanylcarbothioyl-anilino)benzoic acid CAS Name: 2-(2-carboxy-N-[(ethylthio)-sulfanylidenemethyl]anilino)benzoic acid IUPAC Name: 2-(2-carboxy-N-ethylsulfanylcarbothioylanilino)benzoic acid Traditional Name: 2-(2-carboxy-N-(ethylthio)carbothioyl-anilino)benzoic acid Formula: C17H15NO4S2 MolecularWeight: 361.4353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)N(C1=CC=CC=C1C(=O)O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCSC(=S)N(C1=CC=CC=C1C(=O)O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H15NO4S2/c1-2-24-17(23)18(13-9-5-3-7-11(13)15(19)20)14-10-6-4-8-12(14)16(21)22/h3-10H,2H2,1H3,(H,19,20)(H,21,22)