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

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: [2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-(1-naphthyl)-5-oxo-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]-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]-1-oxoethoxy]methyl ester IUPAC Name: [2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-naphthalen-1-yl-5-oxo-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-2-(1-naphthyl)-1,4-thiazepan-4-yl]acetyl]oxymethyl ester Formula: C35H42N2O7S MolecularWeight: 634.78218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)OCOC(=O)C(C)(C)C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)OCOC(=O)C(C)(C)C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C35H42N2O7S/c1-5-42-33(40)28(19-18-24-12-7-6-8-13-24)36-29-22-45-30(27-17-11-15-25-14-9-10-16-26(25)27)20-37(32(29)39)21-31(38)43-23-44-34(41)35(2,3)4/h6-17,28-30,36H,5,18-23H2,1-4H3