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

Systemtic Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxidanylidene-ethyl]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxo-ethyl]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxoethyl]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxoethyl]-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[4-[2-(1-carbethoxyoxyethoxy)-2-keto-ethyl]-5-keto-2-(2-naphthyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C34H40N2O8S MolecularWeight: 636.755

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)OC(C)OC(=O)OCC)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)OC(C)OC(=O)OCC)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C34H40N2O8S/c1-4-41-33(39)28(18-15-24-11-7-6-8-12-24)35-29-22-45-30(27-17-16-25-13-9-10-14-26(25)19-27)20-36(32(29)38)21-31(37)43-23(3)44-34(40)42-5-2/h6-14,16-17,19,23,28-30,35H,4-5,15,18,20-22H2,1-3H3