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

Systemtic Name: butyl 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(p-tolyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C23H23NO3S MolecularWeight: 393.49862

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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

Isomeric SMILES

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

InChI

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