methyl 7-chloranyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 7-chloranyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 7-chloro-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 7-chloro-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 7-chloro-5-keto-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C12H11ClO3S MolecularWeight: 270.73194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C=C(C=C2)Cl)C(=O)CS1

Isomeric SMILES

COC(=O)C1CC2=C(C=C(C=C2)Cl)C(=O)CS1

InChI

InChI=1S/C12H11ClO3S/c1-16-12(15)11-4-7-2-3-8(13)5-9(7)10(14)6-17-11/h2-3,5,11H,4,6H2,1H3