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

Systemtic Name: methyl (2S)-2-[(4-methanethioyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(4-methanethioyl-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-methanethioyl-2-phenylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methanethioyl-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenyl-4-thioformyl-benzoyl)amino]butyric acid methyl ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)C=S)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S2/c1-24-20(23)18(10-11-26-2)21-19(22)16-9-8-14(13-25)12-17(16)15-6-4-3-5-7-15/h3-9,12-13,18H,10-11H2,1-2H3,(H,21,22)/t18-/m0/s1