diethyl (Z,4Z)-3-azanyl-2-cyano-4-[methylsulfanyl(phenylazanyl)methylidene]pent-2-enedioate

Systemtic Name: diethyl (Z,4Z)-3-azanyl-2-cyano-4-[methylsulfanyl(phenylazanyl)methylidene]pent-2-enedioate Openeye Name: diethyl (Z,4Z)-3-amino-4-[anilino(methylsulfanyl)methylene]-2-cyano-pent-2-enedioate CAS Name: (Z,4Z)-3-amino-4-[anilino-(methylthio)methylidene]-2-cyano-2-pentenedioic acid diethyl ester IUPAC Name: diethyl (Z,4Z)-3-amino-4-[anilino(methylsulfanyl)methylidene]-2-cyanopent-2-enedioate Traditional Name: (Z,4Z)-3-amino-4-[anilino-(methylthio)methylene]-2-cyano-pent-2-enedioic acid diethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(=C(NC1=CC=CC=C1)SC)C(=O)OCC)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/C(=C(\NC1=CC=CC=C1)/SC)/C(=O)OCC)\N)/C#N

InChI

InChI=1S/C18H21N3O4S/c1-4-24-17(22)13(11-19)15(20)14(18(23)25-5-2)16(26-3)21-12-9-7-6-8-10-12/h6-10,21H,4-5,20H2,1-3H3/b15-13-,16-14-