ethyl 6-azanyl-5-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-amino-5-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-(1-cyano-2-ethoxy-2-oxo-ethyl)pyridine-3-carboxylate CAS Name: 6-amino-5-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-(1-cyano-2-ethoxy-2-oxoethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-(1-cyano-2-ethoxy-2-oxoethyl)pyridine-3-carboxylate Traditional Name: 6-amino-5-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-(1-cyano-2-ethoxy-2-keto-ethyl)nicotinic acid ethyl ester Formula: C22H20N6O5S MolecularWeight: 480.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3)N)C(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C2=NN=C(S2)NC(=O)C3=CC=CC=C3)N)C(C#N)C(=O)OCC

InChI

InChI=1S/C22H20N6O5S/c1-3-32-20(30)13-10-14(17(24)25-16(13)15(11-23)21(31)33-4-2)19-27-28-22(34-19)26-18(29)12-8-6-5-7-9-12/h5-10,15H,3-4H2,1-2H3,(H2,24,25)(H,26,28,29)