methyl 4-methyl-3-(4-phenylsulfanylbutanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(4-phenylsulfanylbutanoylamino)benzoate Openeye Name: methyl 4-methyl-3-(4-phenylsulfanylbutanoylamino)benzoate CAS Name: 4-methyl-3-[[1-oxo-4-(phenylthio)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(4-phenylsulfanylbutanoylamino)benzoate Traditional Name: 4-methyl-3-[4-(phenylthio)butanoylamino]benzoic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-14-10-11-15(19(22)23-2)13-17(14)20-18(21)9-6-12-24-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,21)