3-dodecylsulfanyl-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-dodecylsulfanyl-4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-dodecylsulfanyl-4-(3-methylanilino)-4-oxo-butanoic acid CAS Name: 3-(dodecylthio)-4-(3-methylanilino)-4-oxobutanoic acid IUPAC Name: 3-dodecylsulfanyl-4-(3-methylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-3-(laurylthio)-4-(m-toluidino)butyric acid Formula: C23H37NO3S MolecularWeight: 407.60978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CC(=O)O)C(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCCCCCSC(CC(=O)O)C(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C23H37NO3S/c1-3-4-5-6-7-8-9-10-11-12-16-28-21(18-22(25)26)23(27)24-20-15-13-14-19(2)17-20/h13-15,17,21H,3-12,16,18H2,1-2H3,(H,24,27)(H,25,26)