ethyl 2-(7-chloranyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate

Systemtic Name: ethyl 2-(7-chloranyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: ethyl 2-(7-chloro-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(7-chloro-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-chloro-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(7-chloro-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid ethyl ester Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C13H14ClNO3S/c1-2-18-13(17)8-15-10-7-9(14)3-4-11(10)19-6-5-12(15)16/h3-4,7H,2,5-6,8H2,1H3