ethyl 2-[(2R,3R)-3-azanyl-8-chloranyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[(2R,3R)-3-azanyl-8-chloranyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[(2R,3R)-3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(2R,3R)-3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R,3R)-3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(2R,3R)-3-amino-8-chloro-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester Formula: C19H19ClN2O3S MolecularWeight: 390.88376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Cl)S[C@@H]([C@@H](C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H19ClN2O3S/c1-2-25-16(23)11-22-14-9-8-13(20)10-15(14)26-18(17(21)19(22)24)12-6-4-3-5-7-12/h3-10,17-18H,2,11,21H2,1H3/t17-,18+/m0/s1