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

Systemtic Name: tert-butyl 2-[(3R)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(3R)-3-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2SCC(C1=O)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2SC[C@@H](C1=O)N

InChI

InChI=1S/C15H20N2O3S/c1-15(2,3)20-13(18)8-17-11-6-4-5-7-12(11)21-9-10(16)14(17)19/h4-7,10H,8-9,16H2,1-3H3/t10-/m0/s1