ethyl 2-[[2-(5-aminocarbonyl-4-azanyl-3-phenyl-1,3-thiazol-2-ylidene)-2-cyano-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(5-aminocarbonyl-4-azanyl-3-phenyl-1,3-thiazol-2-ylidene)-2-cyano-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-amino-5-carbamoyl-3-phenyl-thiazol-2-ylidene)-2-cyano-acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-amino-5-carbamoyl-3-phenyl-2-thiazolylidene)-2-cyano-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-amino-5-carbamoyl-3-phenyl-1,3-thiazol-2-ylidene)-2-cyanoacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-amino-5-carbamoyl-3-phenyl-4-thiazolin-2-ylidene)-2-cyano-acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H21N5O4S2 MolecularWeight: 531.60604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=C3N(C(=C(S3)C(=O)N)N)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=C3N(C(=C(S3)C(=O)N)N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H21N5O4S2/c1-2-35-26(34)19-18(15-9-5-3-6-10-15)14-36-24(19)30-23(33)17(13-27)25-31(16-11-7-4-8-12-16)21(28)20(37-25)22(29)32/h3-12,14H,2,28H2,1H3,(H2,29,32)(H,30,33)