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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OCC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OCC)OC

InChI

InChI=1S/C24H28N2O5S/c1-6-10-31-19-9-8-16(12-20(19)29-5)11-17(14-25)22(27)26-23-18(24(28)30-7-2)13-21(32-23)15(3)4/h8-9,11-13,15H,6-7,10H2,1-5H3,(H,26,27)/b17-11+