butyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO5S/c1-2-3-12-27-23(26)21-16-6-4-5-7-19(16)30-22(21)24-20(25)11-9-15-8-10-17-18(13-15)29-14-28-17/h4-11,13H,2-3,12,14H2,1H3,(H,24,25)/b11-9+