methyl 5-[4-(3-methylfuran-2-yl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(3-methylfuran-2-yl)carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(3-methyl-2-furanyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(3-methyl-2-furoyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

CC1=C(OC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C16H18N2O6S2/c1-11-3-8-24-14(11)15(19)17-4-6-18(7-5-17)26(21,22)13-9-12(10-25-13)16(20)23-2/h3,8-10H,4-7H2,1-2H3