tert-butyl 2-(6-azanyl-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl)ethanoate

Systemtic Name: tert-butyl 2-(6-azanyl-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl)ethanoate Openeye Name: tert-butyl 2-[6-amino-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetate CAS Name: 2-[6-amino-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-amino-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl)acetate Traditional Name: 2-[6-amino-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid tert-butyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC(SCC(C1=O)N)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC(SCC(C1=O)N)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)26-19(24)12-23-11-18(27-13-17(22)20(23)25)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,17-18H,11-13,22H2,1-3H3