ethyl 2-azanyl-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-pyridine-3-carboxylate CAS Name: 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyanopyridine-3-carboxylate Traditional Name: 2-amino-6-[1,3-benzothiazol-2-yl(cyano)methyl]-5-cyano-nicotinic acid ethyl ester Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C(C#N)C2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C(C#N)C2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C18H13N5O2S/c1-2-25-18(24)11-7-10(8-19)15(23-16(11)21)12(9-20)17-22-13-5-3-4-6-14(13)26-17/h3-7,12H,2H2,1H3,(H2,21,23)