methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)OC

InChI

InChI=1S/C25H30N2O5S/c1-15(2)9-10-32-20-8-7-17(12-21(20)30-5)11-18(14-26)23(28)27-24-19(25(29)31-6)13-22(33-24)16(3)4/h7-8,11-13,15-16H,9-10H2,1-6H3,(H,27,28)/b18-11+