2-[(4-ethoxyphenyl)carbonylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-ethoxyphenyl)carbonylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(4-ethoxybenzoyl)amino]propanoic acid CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(4-ethoxybenzoyl)amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(4-ethoxybenzoyl)amino]propionic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-2-24-16-10-8-15(9-11-16)18(21)20-17(19(22)23)13-25-12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)