2-ethoxyethyl (Z)-2-cyano-3-methylsulfanyl-3-(1-phenylethylamino)prop-2-enoate

Systemtic Name: 2-ethoxyethyl (Z)-2-cyano-3-methylsulfanyl-3-(1-phenylethylamino)prop-2-enoate Openeye Name: 2-ethoxyethyl (Z)-2-cyano-3-methylsulfanyl-3-(1-phenylethylamino)prop-2-enoate CAS Name: (Z)-2-cyano-3-(methylthio)-3-(1-phenylethylamino)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (Z)-2-cyano-3-methylsulfanyl-3-(1-phenylethylamino)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(methylthio)-3-(1-phenylethylamino)acrylic acid 2-ethoxyethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NC(C)C1=CC=CC=C1)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(/NC(C)C1=CC=CC=C1)\SC)/C#N

InChI

InChI=1S/C17H22N2O3S/c1-4-21-10-11-22-17(20)15(12-18)16(23-3)19-13(2)14-8-6-5-7-9-14/h5-9,13,19H,4,10-11H2,1-3H3/b16-15-