ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxidanylidene-ethyl]-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxidanylidene-ethyl]-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxo-ethyl]-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxoethyl]-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxoethyl]-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[4-[2-(1-carbethoxyoxyethoxy)-2-keto-ethyl]-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C30H38N2O8S MolecularWeight: 586.69632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O8S/c1-4-37-29(35)24(17-16-22-12-8-6-9-13-22)31-25-19-41-20-26(23-14-10-7-11-15-23)32(28(25)34)18-27(33)39-21(3)40-30(36)38-5-2/h6-15,21,24-26,31H,4-5,16-20H2,1-3H3