ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(2-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(2-butoxyphenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C22H27NO4S/c1-5-7-14-27-18-11-9-8-10-17(18)12-13-19(24)23-21-20(22(25)26-6-2)15(3)16(4)28-21/h8-13H,5-7,14H2,1-4H3,(H,23,24)