2-[(2-carboxy-5-methyl-phenyl)-ethylsulfanylcarbothioyl-amino]-4-methyl-benzoic acid

Systemtic Name: 2-[(2-carboxy-5-methyl-phenyl)-ethylsulfanylcarbothioyl-amino]-4-methyl-benzoic acid Openeye Name: 2-(2-carboxy-N-ethylsulfanylcarbothioyl-5-methyl-anilino)-4-methyl-benzoic acid CAS Name: 2-(2-carboxy-N-[(ethylthio)-sulfanylidenemethyl]-5-methylanilino)-4-methylbenzoic acid IUPAC Name: 2-(2-carboxy-N-ethylsulfanylcarbothioyl-5-methylanilino)-4-methylbenzoic acid Traditional Name: 2-(2-carboxy-N-(ethylthio)carbothioyl-5-methyl-anilino)-4-methyl-benzoic acid Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)N(C1=C(C=CC(=C1)C)C(=O)O)C2=C(C=CC(=C2)C)C(=O)O

Isomeric SMILES

CCSC(=S)N(C1=C(C=CC(=C1)C)C(=O)O)C2=C(C=CC(=C2)C)C(=O)O

InChI

InChI=1S/C19H19NO4S2/c1-4-26-19(25)20(15-9-11(2)5-7-13(15)17(21)22)16-10-12(3)6-8-14(16)18(23)24/h5-10H,4H2,1-3H3,(H,21,22)(H,23,24)