4-[(4-chloranyl-3-methyl-phenyl)amino]-3-(dodecylsulfanylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-chloranyl-3-methyl-phenyl)amino]-3-(dodecylsulfanylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chloro-3-methyl-anilino)-3-(dodecylsulfanylmethyl)-4-oxo-butanoic acid CAS Name: 4-(4-chloro-3-methylanilino)-3-[(dodecylthio)methyl]-4-oxobutanoic acid IUPAC Name: 4-(4-chloro-3-methylanilino)-3-(dodecylsulfanylmethyl)-4-oxobutanoic acid Traditional Name: 4-(4-chloro-3-methyl-anilino)-4-keto-3-[(laurylthio)methyl]butyric acid Formula: C24H38ClNO3S MolecularWeight: 456.08142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(CC(=O)O)C(=O)NC1=CC(=C(C=C1)Cl)C

Isomeric SMILES

CCCCCCCCCCCCSCC(CC(=O)O)C(=O)NC1=CC(=C(C=C1)Cl)C

InChI

InChI=1S/C24H38ClNO3S/c1-3-4-5-6-7-8-9-10-11-12-15-30-18-20(17-23(27)28)24(29)26-21-13-14-22(25)19(2)16-21/h13-14,16,20H,3-12,15,17-18H2,1-2H3,(H,26,29)(H,27,28)