ethyl 2-[2-[bis(prop-2-enyl)amino]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[bis(prop-2-enyl)amino]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(diallylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[bis(prop-2-enyl)amino]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(diallylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN(CC=C)CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN(CC=C)CC=C

InChI

InChI=1S/C22H26N2O3S/c1-5-12-24(13-6-2)14-19(25)23-21-20(22(26)27-7-3)18(15-28-21)17-10-8-16(4)9-11-17/h5-6,8-11,15H,1-2,7,12-14H2,3-4H3,(H,23,25)