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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-pentoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-pentoxyphenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(3-pentoxyphenyl)prop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-pentoxyphenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-amoxyphenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

InChI

InChI=1S/C24H28N2O4S/c1-5-6-7-11-30-19-10-8-9-17(13-19)12-18(15-25)22(27)26-23-20(24(28)29-4)14-21(31-23)16(2)3/h8-10,12-14,16H,5-7,11H2,1-4H3,(H,26,27)/b18-12+