2-[2-[[4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]phenyl]carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[[4-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]phenyl]carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[[4-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]phenyl]carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[4-[[(2-methoxy-2-oxoethyl)thio]methyl]anilino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[[4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]phenyl]carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[[4-[[(2-keto-2-methoxy-ethyl)thio]methyl]phenyl]carbamoyl]phenyl]benzoic acid Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H21NO5S/c1-30-22(26)15-31-14-16-10-12-17(13-11-16)25-23(27)20-8-4-2-6-18(20)19-7-3-5-9-21(19)24(28)29/h2-13H,14-15H2,1H3,(H,25,27)(H,28,29)