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

Systemtic Name: butyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C24H25NO5S MolecularWeight: 439.524

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5S/c1-4-5-14-30-24(27)22-17-8-6-7-9-20(17)31-23(22)25-21(26)13-11-16-10-12-18(28-2)19(15-16)29-3/h6-13,15H,4-5,14H2,1-3H3,(H,25,26)/b13-11+