methyl 5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(E)-3-(2-thienyl)prop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(E)-3-(2-thienyl)acryloyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C17H18N2O5S3 MolecularWeight: 426.53022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H18N2O5S3/c1-24-17(21)13-11-16(26-12-13)27(22,23)19-8-6-18(7-9-19)15(20)5-4-14-3-2-10-25-14/h2-5,10-12H,6-9H2,1H3/b5-4+