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

Systemtic Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxidanylidene-ethyl]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxo-ethyl]-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxoethyl]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-(1-ethoxycarbonyloxyethoxy)-2-oxoethyl]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[4-[2-(1-carbethoxyoxyethoxy)-2-keto-ethyl]-5-keto-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C28H36N2O8S2 MolecularWeight: 592.72404

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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=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O8S2/c1-4-35-27(33)21(14-13-20-10-7-6-8-11-20)29-22-18-40-24(23-12-9-15-39-23)16-30(26(22)32)17-25(31)37-19(3)38-28(34)36-5-2/h6-12,15,19,21-22,24,29H,4-5,13-14,16-18H2,1-3H3