tert-butyl 2-[(2R,6R)-6-azanyl-5-oxidanylidene-2-phenyl-1,4-thiazepan-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2R,6R)-6-azanyl-5-oxidanylidene-2-phenyl-1,4-thiazepan-4-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,6R)-6-amino-5-oxo-2-phenyl-1,4-thiazepan-4-yl]acetate CAS Name: 2-[(2R,6R)-6-amino-5-oxo-2-phenyl-1,4-thiazepan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,6R)-6-amino-5-oxo-2-phenyl-1,4-thiazepan-4-yl]acetate Traditional Name: 2-[(2R,6R)-6-amino-5-keto-2-phenyl-1,4-thiazepan-4-yl]acetic acid tert-butyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC(SCC(C1=O)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C[C@H](SC[C@@H](C1=O)N)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3S/c1-17(2,3)22-15(20)10-19-9-14(12-7-5-4-6-8-12)23-11-13(18)16(19)21/h4-8,13-14H,9-11,18H2,1-3H3/t13-,14-/m0/s1