methyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C23H24N2O4S/c1-3-4-12-29-17-10-8-15(9-11-17)13-16(14-24)21(26)25-22-20(23(27)28-2)18-6-5-7-19(18)30-22/h8-11,13H,3-7,12H2,1-2H3,(H,25,26)