1-cyanoethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 1-cyanoethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Openeye Name: 1-cyanoethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinic acid 1-cyanoethyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C#N)OC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H14N2O4S/c1-11(10-18)23-17(20)13-3-2-6-19-16(13)24-12-4-5-14-15(9-12)22-8-7-21-14/h2-6,9,11H,7-8H2,1H3