[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-(phenylsulfanylmethyl)phenyl] ethanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-(phenylsulfanylmethyl)phenyl] ethanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-6-(phenylsulfanylmethyl)phenyl] acetate CAS Name: acetic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-[(phenylthio)methyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-(phenylsulfanylmethyl)phenyl] acetate Traditional Name: acetic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-6-[(phenylthio)methyl]phenyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(=O)C)CSC2=CC=CC=C2)C=C(C#N)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(=O)C)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C21H20N2O4S/c1-3-26-19-11-15(9-16(12-22)21(23)25)10-17(20(19)27-14(2)24)13-28-18-7-5-4-6-8-18/h4-11H,3,13H2,1-2H3,(H2,23,25)/b16-9+