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

Systemtic Name: ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H16BrNO3S MolecularWeight: 430.31494

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO3S/c1-2-25-20(24)18-15-5-3-4-6-16(15)26-19(18)22-17(23)12-9-13-7-10-14(21)11-8-13/h3-12H,2H2,1H3,(H,22,23)/b12-9+