methyl 5-methyl-2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)C(=O)OC

InChI

InChI=1S/C17H23N3O4S2/c1-11-10-12(16(22)23-2)14(26-11)18-17(25)20-7-5-19(6-8-20)15(21)13-4-3-9-24-13/h10,13H,3-9H2,1-2H3,(H,18,25)