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

Systemtic Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(3-cyclohexyl-1-ethoxycarbonyl-propyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-cyclohexyl-propyl)amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CCCCC1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1CCCCC1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H36N2O5S/c1-2-32-25(31)20(14-13-18-9-5-3-6-10-18)26-21-16-33-17-22(19-11-7-4-8-12-19)27(24(21)30)15-23(28)29/h4,7-8,11-12,18,20-22,26H,2-3,5-6,9-10,13-17H2,1H3,(H,28,29)