2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methoxy-benzoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methoxy-benzoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methoxy-benzoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-methoxybenzoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-methoxybenzoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-methoxy-benzoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)OC)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)OC)C(=O)O

InChI

InChI=1S/C20H21NO5S/c1-13(22)27-12-15(10-14-6-4-3-5-7-14)19(23)21-18-11-16(26-2)8-9-17(18)20(24)25/h3-9,11,15H,10,12H2,1-2H3,(H,21,23)(H,24,25)