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

Systemtic Name: tert-butyl 2-[6-azanyl-2-(furan-2-yl)-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoate Openeye Name: tert-butyl 2-[6-amino-2-(2-furyl)-5-oxo-1,4-thiazepan-4-yl]acetate CAS Name: 2-[6-amino-2-(2-furanyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-amino-2-(furan-2-yl)-5-oxo-1,4-thiazepan-4-yl]acetate Traditional Name: 2-[6-amino-2-(2-furyl)-5-keto-1,4-thiazepan-4-yl]acetic acid tert-butyl ester Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC(SCC(C1=O)N)C2=CC=CO2

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC(SCC(C1=O)N)C2=CC=CO2

InChI

InChI=1S/C15H22N2O4S/c1-15(2,3)21-13(18)8-17-7-12(11-5-4-6-20-11)22-9-10(16)14(17)19/h4-6,10,12H,7-9,16H2,1-3H3