4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[[2-(methylthio)ethylamino]-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-[2-(methylthio)ethylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCCSC)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NCCSC)C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H24N2O4S/c1-16(18-8-7-17-5-3-4-6-19(17)14-18)13-23(28)27-22-15-20(9-10-21(22)25(30)31)24(29)26-11-12-32-2/h3-10,13-15H,11-12H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)/b16-13-