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

Systemtic Name: ethyl 2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3S/c1-3-25-21(24)19-16-6-4-5-7-17(16)26-20(19)22-18(23)13-12-15-10-8-14(2)9-11-15/h4-13H,3H2,1-2H3,(H,22,23)/b13-12+