methyl 3-chloranyl-6-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H22ClN3O4S2 MolecularWeight: 467.98938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)C(=O)C4CCCO4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)C(=O)C4CCCO4)Cl

InChI

InChI=1S/C20H22ClN3O4S2/c1-27-19(26)17-16(21)13-5-4-12(11-15(13)30-17)22-20(29)24-8-6-23(7-9-24)18(25)14-3-2-10-28-14/h4-5,11,14H,2-3,6-10H2,1H3,(H,22,29)