butyl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-chlorophenyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3S/c1-2-3-13-27-22(26)20-17-9-4-5-10-18(17)28-21(20)24-19(25)12-11-15-7-6-8-16(23)14-15/h4-12,14H,2-3,13H2,1H3,(H,24,25)/b12-11+