ethyl 2-(4-azanyl-5-cyano-6-phenyl-1,3-thiazepin-2-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)ethanoate

Systemtic Name: ethyl 2-(4-azanyl-5-cyano-6-phenyl-1,3-thiazepin-2-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)ethanoate Openeye Name: ethyl 2-(4-amino-5-cyano-6-phenyl-1,3-thiazepin-2-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)acetate CAS Name: 2-(4-amino-5-cyano-6-phenyl-1,3-thiazepin-2-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-5-cyano-6-phenyl-1,3-thiazepin-2-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)acetate Traditional Name: 2-(4-amino-5-cyano-6-phenyl-1,3-thiazepin-2-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)acetic acid ethyl ester Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NC2=CC=CC=C2N1)C3=NC(=C(C(=CS3)C4=CC=CC=C4)C#N)N

Isomeric SMILES

CCOC(=O)C(=C1NC2=CC=CC=C2N1)C3=NC(=C(C(=CS3)C4=CC=CC=C4)C#N)N

InChI

InChI=1S/C23H19N5O2S/c1-2-30-23(29)19(21-26-17-10-6-7-11-18(17)27-21)22-28-20(25)15(12-24)16(13-31-22)14-8-4-3-5-9-14/h3-11,13,26-27H,2,25H2,1H3