methyl 2-[2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N

InChI

InChI=1S/C18H13N3O5S2/c1-26-17(25)9-4-2-3-5-11(9)20-14(24)8-27-18-10(7-19)15-16(28-18)12(22)6-13(23)21-15/h2-6H,8H2,1H3,(H,20,24)(H2,21,22,23)