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

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC(C)C

InChI

InChI=1S/C24H28N2O4S/c1-4-5-6-7-13-29-20-10-8-18(9-11-20)15-19(16-25)22(27)26-23-21(12-14-31-23)24(28)30-17(2)3/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,26,27)/b19-15+