ethyl (2E)-2-[4-azanyl-5-cyano-3-(4-methylphenyl)-6-phenyl-1,3-thiazepin-2-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2E)-2-[4-azanyl-5-cyano-3-(4-methylphenyl)-6-phenyl-1,3-thiazepin-2-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2E)-2-[4-amino-5-cyano-6-phenyl-3-(p-tolyl)-1,3-thiazepin-2-ylidene]-2-cyano-acetate CAS Name: (2E)-2-[4-amino-5-cyano-3-(4-methylphenyl)-6-phenyl-1,3-thiazepin-2-ylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[4-amino-5-cyano-3-(4-methylphenyl)-6-phenyl-1,3-thiazepin-2-ylidene]-2-cyanoacetate Traditional Name: (2E)-2-[4-amino-5-cyano-6-phenyl-3-(p-tolyl)-1,3-thiazepin-2-ylidene]-2-cyano-acetic acid ethyl ester Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(C(=C(C(=CS1)C2=CC=CC=C2)C#N)N)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\N(C(=C(C(=CS1)C2=CC=CC=C2)C#N)N)C3=CC=C(C=C3)C)/C#N

InChI

InChI=1S/C24H20N4O2S/c1-3-30-24(29)20(14-26)23-28(18-11-9-16(2)10-12-18)22(27)19(13-25)21(15-31-23)17-7-5-4-6-8-17/h4-12,15H,3,27H2,1-2H3/b23-20+