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

Systemtic Name: 2-chloranylprop-2-enyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-chloroallyl 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 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 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 2-chloroallyl ester Formula: C17H14ClNO4S MolecularWeight: 363.81536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(COC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3)Cl

Isomeric SMILES

C=C(COC(=O)C1=C(N=CC=C1)SC2=CC3=C(C=C2)OCCO3)Cl

InChI

InChI=1S/C17H14ClNO4S/c1-11(18)10-23-17(20)13-3-2-6-19-16(13)24-12-4-5-14-15(9-12)22-8-7-21-14/h2-6,9H,1,7-8,10H2