2-[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-phenyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-phenyl-phenyl]ethanoic acid Openeye Name: 2-[4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]-3-phenyl-phenyl]acetic acid CAS Name: 2-[4-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylphenyl]acetic acid IUPAC Name: 2-[4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-3-phenylphenyl]acetic acid Traditional Name: 2-[4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-phenyl]acetic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-27-21(26)18(10-11-28-2)22-20(25)16-9-8-14(13-19(23)24)12-17(16)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)