butyl 2-[[4-acetyloxy-5-oxidanylidene-2-(1,3-thiazol-4-yl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate

Systemtic Name: butyl 2-[[4-acetyloxy-5-oxidanylidene-2-(1,3-thiazol-4-yl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: butyl 2-[(4-acetoxy-5-oxo-2-thiazol-4-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate CAS Name: 2-[[4-acetyloxy-5-oxo-2-(4-thiazolyl)-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid butyl ester IUPAC Name: butyl 2-[[4-acetyloxy-5-oxo-2-(1,3-thiazol-4-yl)-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate Traditional Name: 2-[(4-acetoxy-5-keto-2-thiazol-4-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butyric acid butyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CSC=N3

Isomeric SMILES

CCCCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CSC=N3

InChI

InChI=1S/C24H31N3O5S2/c1-3-4-12-31-24(30)19(11-10-18-8-6-5-7-9-18)26-21-15-34-22(20-14-33-16-25-20)13-27(23(21)29)32-17(2)28/h5-9,14,16,19,21-22,26H,3-4,10-13,15H2,1-2H3