methyl 7-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]heptanoate Openeye Name: methyl 7-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]heptanoate CAS Name: 7-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]heptanoate Traditional Name: 7-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]enanthic acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C19H28N2O4S/c1-15-8-7-9-16(12-15)21-18(23)14-26-13-17(22)20-11-6-4-3-5-10-19(24)25-2/h7-9,12H,3-6,10-11,13-14H2,1-2H3,(H,20,22)(H,21,23)