2-chloranylprop-2-enyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-chloranylprop-2-enyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-chloroallyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid 2-chloroallyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

C=C(COC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

C=C(COC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C18H15ClN2O5S/c1-11(19)8-24-18(23)13-3-2-6-20-17(13)27-9-16(22)21-12-4-5-14-15(7-12)26-10-25-14/h2-7H,1,8-10H2,(H,21,22)