O4-ethyl O2-propan-2-yl 5-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(2-butoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(2-butoxyphenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C25H31NO6S MolecularWeight: 473.58174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC=CC=C1/C=C/C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC

InChI

InChI=1S/C25H31NO6S/c1-6-8-15-31-19-12-10-9-11-18(19)13-14-20(27)26-23-21(24(28)30-7-2)17(5)22(33-23)25(29)32-16(3)4/h9-14,16H,6-8,15H2,1-5H3,(H,26,27)/b14-13+