(Z)-2-(4-chlorophenyl)carbonyl-3-(2-methoxyethylamino)-3-methylsulfanyl-prop-2-enenitrile

Systemtic Name: (Z)-2-(4-chlorophenyl)carbonyl-3-(2-methoxyethylamino)-3-methylsulfanyl-prop-2-enenitrile Openeye Name: (Z)-2-(4-chlorobenzoyl)-3-(2-methoxyethylamino)-3-methylsulfanyl-prop-2-enenitrile CAS Name: (Z)-2-[(4-chlorophenyl)-oxomethyl]-3-(2-methoxyethylamino)-3-(methylthio)-2-propenenitrile IUPAC Name: (Z)-2-(4-chlorobenzoyl)-3-(2-methoxyethylamino)-3-methylsulfanylprop-2-enenitrile Traditional Name: (Z)-2-(4-chlorobenzoyl)-3-(2-methoxyethylamino)-3-(methylthio)acrylonitrile Formula: C14H15ClN2O2S MolecularWeight: 310.7991

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)SC

Isomeric SMILES

COCCN/C(=C(\C#N)/C(=O)C1=CC=C(C=C1)Cl)/SC

InChI

InChI=1S/C14H15ClN2O2S/c1-19-8-7-17-14(20-2)12(9-16)13(18)10-3-5-11(15)6-4-10/h3-6,17H,7-8H2,1-2H3/b14-12-