ethyl 2-[(3S)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate hydrochloride

Systemtic Name: ethyl 2-[(3S)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate hydrochloride Openeye Name: ethyl 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate hydrochloride CAS Name: 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate hydrochloride Traditional Name: 2-[(3S)-3-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester hydrochloride Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SCC(C1=O)N.Cl

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC[C@H](C1=O)N.Cl

InChI

InChI=1S/C13H16N2O3S.ClH/c1-2-18-12(16)7-15-10-5-3-4-6-11(10)19-8-9(14)13(15)17;/h3-6,9H,2,7-8,14H2,1H3;1H/t9-;/m1./s1