methyl 2-[(2-chloranyl-7-cyclopropyl-4-oxidanylidene-thieno[2,3-b]pyridin-5-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-chloranyl-7-cyclopropyl-4-oxidanylidene-thieno[2,3-b]pyridin-5-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-chloro-7-cyclopropyl-4-oxo-thieno[2,3-b]pyridine-5-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-7-cyclopropyl-4-oxo-5-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-7-cyclopropyl-4-oxothieno[2,3-b]pyridine-5-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-7-cyclopropyl-4-keto-thieno[2,3-b]pyridine-5-carbonyl)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)C1=CN(C2=C(C1=O)C=C(S2)Cl)C3CC3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CN(C2=C(C1=O)C=C(S2)Cl)C3CC3

InChI

InChI=1S/C17H19ClN2O4S2/c1-24-17(23)12(5-6-25-2)19-15(22)11-8-20(9-3-4-9)16-10(14(11)21)7-13(18)26-16/h7-9,12H,3-6H2,1-2H3,(H,19,22)