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

Systemtic Name: butyl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3,4-dichlorophenyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C22H19Cl2NO3S MolecularWeight: 448.36216

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2NO3S/c1-2-3-12-28-22(27)20-15-6-4-5-7-18(15)29-21(20)25-19(26)11-9-14-8-10-16(23)17(24)13-14/h4-11,13H,2-3,12H2,1H3,(H,25,26)/b11-9+