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

Systemtic Name: ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO3S/c1-4-27-23(26)21-18-7-5-6-8-19(18)28-22(21)24-20(25)14-11-16-9-12-17(13-10-16)15(2)3/h5-15H,4H2,1-3H3,(H,24,25)/b14-11+