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

Systemtic Name: 4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-phenyl-benzoic acid Openeye Name: 4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]-3-phenyl-benzoic acid CAS Name: 4-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylbenzoic acid IUPAC Name: 4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-3-phenylbenzoic acid Traditional Name: 4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-benzoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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