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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

InChI

InChI=1S/C25H30N2O4S/c1-5-6-7-8-13-31-20-11-9-18(10-12-20)14-19(16-26)23(28)27-24-21(25(29)30-4)15-22(32-24)17(2)3/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,27,28)/b19-14+