methyl 2-[[2-(3-methoxycarbonylpyridin-2-yl)sulfanyl-1H-indol-3-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[[2-(3-methoxycarbonylpyridin-2-yl)sulfanyl-1H-indol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: methyl 2-[[2-[(3-methoxycarbonyl-2-pyridyl)sulfanyl]-1H-indol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 2-[[2-[(3-methoxycarbonyl-2-pyridinyl)thio]-1H-indol-3-yl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methoxycarbonylpyridin-2-yl)sulfanyl-1H-indol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 2-[[2-[(3-carbomethoxy-2-pyridyl)thio]-1H-indol-3-yl]thio]nicotinic acid methyl ester Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)SC2=C(NC3=CC=CC=C32)SC4=C(C=CC=N4)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)SC2=C(NC3=CC=CC=C32)SC4=C(C=CC=N4)C(=O)OC

InChI

InChI=1S/C22H17N3O4S2/c1-28-21(26)14-8-5-11-23-18(14)30-17-13-7-3-4-10-16(13)25-20(17)31-19-15(22(27)29-2)9-6-12-24-19/h3-12,25H,1-2H3