methyl 2-(1,1-diphenylprop-2-ynoxycarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(1,1-diphenylprop-2-ynoxycarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(1,1-diphenylprop-2-ynoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[1,1-diphenylprop-2-ynoxy(oxo)methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1,1-diphenylprop-2-ynoxycarbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(1,1-diphenylprop-2-ynoxycarbonylamino)-4-(methylthio)butyric acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-4-22(17-11-7-5-8-12-17,18-13-9-6-10-14-18)27-21(25)23-19(15-16-28-3)20(24)26-2/h1,5-14,19H,15-16H2,2-3H3,(H,23,25)