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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC(C(C1=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC(C(C1=O)N)C3=CC=C(C=C3)Cl

InChI

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