methyl 2-[(4-ethynyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(4-ethynyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-ethynyl-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-ethynyl-2-phenylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-ethynyl-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-ethynyl-2-phenyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-4-15-10-11-17(18(14-15)16-8-6-5-7-9-16)20(23)22-19(12-13-26-3)21(24)25-2/h1,5-11,14,19H,12-13H2,2-3H3,(H,22,23)