diethyl 2-[2-[2-(2-aminophenyl)ethylsulfanyl]-2-oxidanylidene-ethyl]-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-[2-[2-(2-aminophenyl)ethylsulfanyl]-2-oxidanylidene-ethyl]-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-[2-[2-(2-aminophenyl)ethylsulfanyl]-2-oxo-ethyl]propanedioate CAS Name: 2-[2-[2-(2-aminophenyl)ethylthio]-2-oxoethyl]-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-(2-aminophenyl)ethylsulfanyl]-2-oxoethyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[2-[2-(2-aminophenyl)ethylthio]-2-keto-ethyl]malonic acid diethyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C)(CC(=O)SCCC1=CC=CC=C1N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC=C)(CC(=O)SCCC1=CC=CC=C1N)C(=O)OCC

InChI

InChI=1S/C20H27NO5S/c1-4-12-20(18(23)25-5-2,19(24)26-6-3)14-17(22)27-13-11-15-9-7-8-10-16(15)21/h4,7-10H,1,5-6,11-14,21H2,2-3H3