2-[2-[(8-azanyl-1-ethoxy-1-oxidanylidene-octan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(8-azanyl-1-ethoxy-1-oxidanylidene-octan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[2-[(7-amino-1-ethoxycarbonyl-heptyl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-[(8-amino-1-ethoxy-1-oxooctan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[2-[(8-amino-1-ethoxy-1-oxooctan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[2-[(7-amino-1-carbethoxy-heptyl)amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCN)NC1C(N(C(=O)CCS1)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCCCCN)NC1C(N(C(=O)CCS1)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C23H35N3O5S/c1-2-31-23(30)18(12-8-3-4-9-14-24)25-22-21(17-10-6-5-7-11-17)26(16-20(28)29)19(27)13-15-32-22/h5-7,10-11,18,21-22,25H,2-4,8-9,12-16,24H2,1H3,(H,28,29)