methyl 3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H13N3O4S2/c1-24-17(23)15-14(10-5-4-8-19-16(10)27-15)21-13(22)9-26-18-20-11-6-2-3-7-12(11)25-18/h2-8H,9H2,1H3,(H,21,22)