[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]ethyl] ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C22H25ClN2O4S/c1-4-11-25(13-20(26)24-19-8-6-5-7-15(19)2)21(27)14-29-22(28)17-12-16(30-3)9-10-18(17)23/h5-10,12H,4,11,13-14H2,1-3H3,(H,24,26)