methyl 4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-[[2-(methylthio)ethylamino]-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-methylsulfanylethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-[2-(methylthio)ethylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-17(19-9-8-18-6-4-5-7-20(18)15-19)14-24(29)28-23-16-21(25(30)27-12-13-33-3)10-11-22(23)26(31)32-2/h4-11,14-16H,12-13H2,1-3H3,(H,27,30)(H,28,29)/b17-14-