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

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-decan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-(1-ethoxycarbonylnonylamino)-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-(1-carbethoxynonylamino)-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C25H38N2O5S MolecularWeight: 478.64462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)NC1CSCC(N(C1=O)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)NC1CSCC(N(C1=O)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C25H38N2O5S/c1-3-5-6-7-8-12-15-20(25(31)32-4-2)26-21-17-33-18-22(19-13-10-9-11-14-19)27(24(21)30)16-23(28)29/h9-11,13-14,20-22,26H,3-8,12,15-18H2,1-2H3,(H,28,29)