2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: [2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetyl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]-1-oxoethoxy]methyl ester IUPAC Name: [2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetyl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetyl]oxymethyl ester Formula: C31H40N2O7S MolecularWeight: 584.7235

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)OCOC(=O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)OCOC(=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C31H40N2O7S/c1-5-38-29(36)24(17-16-22-12-8-6-9-13-22)32-25-19-41-20-26(23-14-10-7-11-15-23)33(28(25)35)18-27(34)39-21-40-30(37)31(2,3)4/h6-15,24-26,32H,5,16-21H2,1-4H3