2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-2-thiophen-2-yl-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-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: [2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-2-(2-thienyl)-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-2-thiophen-2-yl-1,4-thiazepan-4-yl]-1-oxoethoxy]methyl ester IUPAC Name: [2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-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-(2-thienyl)-1,4-thiazepan-4-yl]acetyl]oxymethyl ester Formula: C29H38N2O7S2 MolecularWeight: 590.75122

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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=CS3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)OCOC(=O)C(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C29H38N2O7S2/c1-5-36-27(34)21(14-13-20-10-7-6-8-11-20)30-22-18-40-24(23-12-9-15-39-23)16-31(26(22)33)17-25(32)37-19-38-28(35)29(2,3)4/h6-12,15,21-22,24,30H,5,13-14,16-19H2,1-4H3