[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)OCC(=O)NCC#C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)OCC(=O)NCC#C)OC)OC

InChI

InChI=1S/C17H21NO5S/c1-5-6-18-16(19)9-23-17(20)11-24-10-13-8-15(22-4)14(21-3)7-12(13)2/h1,7-8H,6,9-11H2,2-4H3,(H,18,19)