4-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-thiazonane-5-carboxylic acid

Systemtic Name: 4-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,4-thiazonane-5-carboxylic acid Openeye Name: 4-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1,4-thiazonane-5-carboxylic acid CAS Name: 4-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,4-thiazonane-5-carboxylic acid IUPAC Name: 4-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,4-thiazonane-5-carboxylic acid Traditional Name: 4-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-1,4-thiazonane-5-carboxylic acid Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCSCCCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCSCCCCC2C(=O)O

InChI

InChI=1S/C23H34N2O5S/c1-3-30-23(29)19(13-12-18-9-5-4-6-10-18)24-17(2)21(26)25-14-16-31-15-8-7-11-20(25)22(27)28/h4-6,9-10,17,19-20,24H,3,7-8,11-16H2,1-2H3,(H,27,28)