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

Systemtic Name: butyl 2-[[2-oxidanylidene-2-[(5-oxidanylidene-1,4-thiazepan-4-yl)oxy]-1-thiophen-2-yl-ethyl]amino]-4-phenyl-butanoate Openeye Name: butyl 2-[[2-oxo-2-[(5-oxo-1,4-thiazepan-4-yl)oxy]-1-(2-thienyl)ethyl]amino]-4-phenyl-butanoate CAS Name: 2-[[2-oxo-2-[(5-oxo-1,4-thiazepan-4-yl)oxy]-1-thiophen-2-ylethyl]amino]-4-phenylbutanoic acid butyl ester IUPAC Name: butyl 2-[[2-oxo-2-[(5-oxo-1,4-thiazepan-4-yl)oxy]-1-thiophen-2-ylethyl]amino]-4-phenylbutanoate Traditional Name: 2-[[2-keto-2-[(5-keto-1,4-thiazepan-4-yl)oxy]-1-(2-thienyl)ethyl]amino]-4-phenyl-butyric acid butyl ester Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC(C2=CC=CS2)C(=O)ON3CCSCCC3=O

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC(C2=CC=CS2)C(=O)ON3CCSCCC3=O

InChI

InChI=1S/C25H32N2O5S2/c1-2-3-15-31-24(29)20(12-11-19-8-5-4-6-9-19)26-23(21-10-7-16-34-21)25(30)32-27-14-18-33-17-13-22(27)28/h4-10,16,20,23,26H,2-3,11-15,17-18H2,1H3