ethyl 7-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-6-cyano-5-methyl-2-oxidanylidene-pyrano[2,3-b]pyridine-3-carboxylate

Systemtic Name: ethyl 7-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-6-cyano-5-methyl-2-oxidanylidene-pyrano[2,3-b]pyridine-3-carboxylate Openeye Name: ethyl 7-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-6-cyano-5-methyl-2-oxo-pyrano[2,3-b]pyridine-3-carboxylate CAS Name: 7-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-6-cyano-5-methyl-2-oxo-3-pyrano[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-6-cyano-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate Traditional Name: 7-[4-(1,2-benzothiazol-3-yl)piperazino]-6-cyano-2-keto-5-methyl-pyrano[2,3-b]pyridine-3-carboxylic acid ethyl ester Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N=C(C(=C2C)C#N)N3CCN(CC3)C4=NSC5=CC=CC=C54)OC1=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N=C(C(=C2C)C#N)N3CCN(CC3)C4=NSC5=CC=CC=C54)OC1=O

InChI

InChI=1S/C24H21N5O4S/c1-3-32-23(30)17-12-16-14(2)18(13-25)20(26-22(16)33-24(17)31)28-8-10-29(11-9-28)21-15-6-4-5-7-19(15)34-27-21/h4-7,12H,3,8-11H2,1-2H3