3-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-9-thia-3-azaspiro[4.5]decane-2-carboxylic acid

Systemtic Name: 3-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-9-thia-3-azaspiro[4.5]decane-2-carboxylic acid Openeye Name: 3-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-9-thia-3-azaspiro[4.5]decane-2-carboxylic acid CAS Name: 3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-9-thia-3-azaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-9-thia-3-azaspiro[4.5]decane-2-carboxylic acid Traditional Name: 3-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-9-thia-3-azaspiro[4.5]decane-2-carboxylic acid Formula: C24H34N2O5S MolecularWeight: 462.60216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3(CCCSC3)CC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3(CCCSC3)CC2C(=O)O

InChI

InChI=1S/C24H34N2O5S/c1-3-31-23(30)19(11-10-18-8-5-4-6-9-18)25-17(2)21(27)26-15-24(12-7-13-32-16-24)14-20(26)22(28)29/h4-6,8-9,17,19-20,25H,3,7,10-16H2,1-2H3,(H,28,29)