2-[[1-ethoxy-2-ethoxycarbonyl-1-oxidanylidene-4-(phenylmethylsulfanyl)butan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-ethoxy-2-ethoxycarbonyl-1-oxidanylidene-4-(phenylmethylsulfanyl)butan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-benzylsulfanyl-1,1-bis(ethoxycarbonyl)propyl]carbamoyl]benzoic acid CAS Name: 2-[[[1-ethoxy-2-ethoxycarbonyl-1-oxo-4-(phenylmethylthio)butan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(4-benzylsulfanyl-1-ethoxy-2-ethoxycarbonyl-1-oxobutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[[3-(benzylthio)-1,1-dicarbethoxy-propyl]carbamoyl]benzoic acid Formula: C24H27NO7S MolecularWeight: 473.53868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSCC1=CC=CC=C1)(C(=O)OCC)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCSCC1=CC=CC=C1)(C(=O)OCC)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C24H27NO7S/c1-3-31-22(29)24(23(30)32-4-2,14-15-33-16-17-10-6-5-7-11-17)25-20(26)18-12-8-9-13-19(18)21(27)28/h5-13H,3-4,14-16H2,1-2H3,(H,25,26)(H,27,28)