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

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-thiophen-2-yl-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[[1-ethoxycarbonyl-3-(2-thienyl)propyl]amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-4-thiophen-2-ylbutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[[1-carbethoxy-3-(2-thienyl)propyl]amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CS1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CS1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S2/c1-2-30-23(29)18(11-10-17-9-6-12-32-17)24-19-14-31-15-20(16-7-4-3-5-8-16)25(22(19)28)13-21(26)27/h3-9,12,18-20,24H,2,10-11,13-15H2,1H3,(H,26,27)