methyl 5-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridin-3-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridin-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 5-[[[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H17N3O6S2 MolecularWeight: 471.50618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O6S2/c1-28-21(27)16-6-7-18(32-16)24-19(26)13-3-2-8-22-20(13)31-10-17(25)23-12-4-5-14-15(9-12)30-11-29-14/h2-9H,10-11H2,1H3,(H,23,25)(H,24,26)