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

Systemtic Name: 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[ethoxycarbonyl(3-phenylpropyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[carbethoxy(3-phenylpropyl)amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCC1=CC=CC=C1)C2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N(CCCC1=CC=CC=C1)C2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5S/c1-2-32-25(31)26(15-9-12-19-10-5-3-6-11-19)22-18-33-17-21(20-13-7-4-8-14-20)27(24(22)30)16-23(28)29/h3-8,10-11,13-14,21-22H,2,9,12,15-18H2,1H3,(H,28,29)