methyl (2R)-2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H19ClN2O4S2 MolecularWeight: 414.92676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H19ClN2O4S2/c1-24-17(23)11(7-8-25-2)20-13(21)9-19-16(22)15-14(18)10-5-3-4-6-12(10)26-15/h3-6,11H,7-9H2,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1