2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxo-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[1-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[1-(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C21H19N2O6S2- MolecularWeight: 459.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)CC(C3=O)SC4=C(C=CC=N4)C(=O)[O-]

InChI

InChI=1S/C21H20N2O6S2/c1-10-5-6-11-13(8-10)31-19(16(11)21(28)29-2)23-15(24)9-14(18(23)25)30-17-12(20(26)27)4-3-7-22-17/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,26,27)/p-1