2-[6-[(1-ethoxy-1-oxidanylidene-decan-2-yl)amino]-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-decan-2-yl)amino]-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-(1-ethoxycarbonylnonylamino)-5-oxo-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-5-oxo-2-thiophen-3-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-(1-carbethoxynonylamino)-5-keto-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C23H36N2O5S2 MolecularWeight: 484.67234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)NC1CSC(CN(C1=O)CC(=O)O)C2=CSC=C2

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)NC1CSC(CN(C1=O)CC(=O)O)C2=CSC=C2

InChI

InChI=1S/C23H36N2O5S2/c1-3-5-6-7-8-9-10-18(23(29)30-4-2)24-19-16-32-20(17-11-12-31-15-17)13-25(22(19)28)14-21(26)27/h11-12,15,18-20,24H,3-10,13-14,16H2,1-2H3,(H,26,27)