butyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-p-cumenylacryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H27NO3S/c1-4-5-16-29-25(28)23-20-8-6-7-9-21(20)30-24(23)26-22(27)15-12-18-10-13-19(14-11-18)17(2)3/h6-15,17H,4-5,16H2,1-3H3,(H,26,27)/b15-12+