ethyl 2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-dimethylaminophenyl)acryloyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C22H28N2O3S/c1-6-27-22(26)20-17(13-15(2)3)14-28-21(20)23-19(25)12-9-16-7-10-18(11-8-16)24(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,23,25)/b12-9+