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

Systemtic Name: 3-(phenylmethylsulfanyl)-2-[(4-propoxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-benzylsulfanyl-2-[(4-propoxybenzoyl)amino]propanoic acid CAS Name: 2-[[oxo-(4-propoxyphenyl)methyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[(4-propoxybenzoyl)amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(4-propoxybenzoyl)amino]propionic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO4S/c1-2-12-25-17-10-8-16(9-11-17)19(22)21-18(20(23)24)14-26-13-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,21,22)(H,23,24)