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

Systemtic Name: methyl 2-[2-[(3-aminocarbonyl-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(3-carbamoyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3-carbamoyl-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-carbamoyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3-carbamoyl-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O6S2 MolecularWeight: 433.4582

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S2/c1-27-17(26)8-4-2-3-5-9(8)20-12(24)7-28-18-13(16(19)25)14-15(29-18)10(22)6-11(23)21-14/h2-6H,7H2,1H3,(H2,19,25)(H,20,24)(H2,21,22,23)