3-chloranylpropyl 3-oxidanylidene-4,5-dihydro-1-benzothiepine-2-carboxylate

Systemtic Name: 3-chloranylpropyl 3-oxidanylidene-4,5-dihydro-1-benzothiepine-2-carboxylate Openeye Name: 3-chloropropyl 3-oxo-4,5-dihydro-1-benzothiepine-2-carboxylate CAS Name: 3-oxo-4,5-dihydro-1-benzothiepin-2-carboxylic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 3-oxo-4,5-dihydro-1-benzothiepine-2-carboxylate Traditional Name: 3-keto-4,5-dihydro-1-benzothiepin-2-carboxylic acid 3-chloropropyl ester Formula: C14H15ClO3S MolecularWeight: 298.7851

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(SC2=CC=CC=C21)C(=O)OCCCCl

Isomeric SMILES

C1CC(=O)C(SC2=CC=CC=C21)C(=O)OCCCCl

InChI

InChI=1S/C14H15ClO3S/c15-8-3-9-18-14(17)13-11(16)7-6-10-4-1-2-5-12(10)19-13/h1-2,4-5,13H,3,6-9H2