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

Systemtic Name: butyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C22H20BrNO3S MolecularWeight: 458.3681

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO3S/c1-2-3-14-27-22(26)20-17-6-4-5-7-18(17)28-21(20)24-19(25)13-10-15-8-11-16(23)12-9-15/h4-13H,2-3,14H2,1H3,(H,24,25)/b13-10+