ethyl 2-[[2-oxidanylidene-2-[(5-oxidanylidene-3-propan-2-yl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[2-oxidanylidene-2-[(5-oxidanylidene-3-propan-2-yl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[2-[(3-isopropyl-5-oxo-1,4-thiazepan-4-yl)oxy]-2-oxo-ethyl]amino]-4-phenyl-butanoate CAS Name: 2-[[2-oxo-2-[(5-oxo-3-propan-2-yl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-oxo-2-[(5-oxo-3-propan-2-yl-1,4-thiazepan-4-yl)oxy]ethyl]amino]-4-phenylbutanoate Traditional Name: 2-[[2-[(3-isopropyl-5-keto-1,4-thiazepan-4-yl)oxy]-2-keto-ethyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NCC(=O)ON2C(CSCCC2=O)C(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NCC(=O)ON2C(CSCCC2=O)C(C)C

InChI

InChI=1S/C22H32N2O5S/c1-4-28-22(27)18(11-10-17-8-6-5-7-9-17)23-14-21(26)29-24-19(16(2)3)15-30-13-12-20(24)25/h5-9,16,18-19,23H,4,10-15H2,1-3H3