tert-butyl 2-[(2R,3S)-3-azanyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2R,3S)-3-azanyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,3S)-3-amino-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(2R,3S)-3-amino-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,3S)-3-amino-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(2R,3S)-3-amino-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2SC(C(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2S[C@@H]([C@H](C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-21(2,3)26-17(24)13-23-15-11-7-8-12-16(15)27-19(18(22)20(23)25)14-9-5-4-6-10-14/h4-12,18-19H,13,22H2,1-3H3/t18-,19-/m1/s1