8-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid

Systemtic Name: 8-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Openeye Name: 8-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]acetyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid CAS Name: 8-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxoethyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid IUPAC Name: 8-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]acetyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Traditional Name: 8-[2-[(1-carbethoxy-3-phenyl-propyl)amino]acetyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NCC(=O)N2CC3(CCSC3)CC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NCC(=O)N2CC3(CCSC3)CC2C(=O)O

InChI

InChI=1S/C22H30N2O5S/c1-2-29-21(28)17(9-8-16-6-4-3-5-7-16)23-13-19(25)24-14-22(10-11-30-15-22)12-18(24)20(26)27/h3-7,17-18,23H,2,8-15H2,1H3,(H,26,27)