methyl 5-oxidanylidene-5-[[4-(3-sulfanylbutyl)phenyl]amino]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[[4-(3-sulfanylbutyl)phenyl]amino]pentanoate Openeye Name: methyl 5-oxo-5-[4-(3-sulfanylbutyl)anilino]pentanoate CAS Name: 5-[4-(3-mercaptobutyl)anilino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-[4-(3-sulfanylbutyl)anilino]pentanoate Traditional Name: 5-keto-5-[4-(3-mercaptobutyl)anilino]valeric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)NC(=O)CCCC(=O)OC)S

Isomeric SMILES

CC(CCC1=CC=C(C=C1)NC(=O)CCCC(=O)OC)S

InChI

InChI=1S/C16H23NO3S/c1-12(21)6-7-13-8-10-14(11-9-13)17-15(18)4-3-5-16(19)20-2/h8-12,21H,3-7H2,1-2H3,(H,17,18)