ethyl 4-chloranyl-5,6,8,9-tetrahydrothiepino[4,5-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-5,6,8,9-tetrahydrothiepino[4,5-b]pyridine-3-carboxylate Openeye Name: ethyl 4-chloro-5,6,8,9-tetrahydrothiepino[4,5-b]pyridine-3-carboxylate CAS Name: 4-chloro-5,6,8,9-tetrahydrothiepino[4,5-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-5,6,8,9-tetrahydrothiepino[4,5-b]pyridine-3-carboxylate Traditional Name: 4-chloro-5,6,8,9-tetrahydrothiepino[4,5-b]pyridine-3-carboxylic acid ethyl ester Formula: C12H14ClNO2S MolecularWeight: 271.76306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2CCSCCC2=C1Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2CCSCCC2=C1Cl

InChI

InChI=1S/C12H14ClNO2S/c1-2-16-12(15)9-7-14-10-4-6-17-5-3-8(10)11(9)13/h7H,2-6H2,1H3