O4-ethyl O2-prop-2-enyl 5-[2-[(3-cyanophenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-[(3-cyanophenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-[(3-cyanophenyl)methyl-methyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(3-cyanophenyl)methyl-methylamino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 5-[[2-[(3-cyanophenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(3-cyanobenzyl)-methyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN(C)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN(C)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C23H25N3O5S/c1-5-10-31-23(29)20-15(3)19(22(28)30-6-2)21(32-20)25-18(27)14-26(4)13-17-9-7-8-16(11-17)12-24/h5,7-9,11H,1,6,10,13-14H2,2-4H3,(H,25,27)