N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]phenyl]thiophene-2-carboxamide Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17BrN2O3S/c1-27-18-10-5-15(22)13-14(18)4-11-20(25)23-16-6-8-17(9-7-16)24-21(26)19-3-2-12-28-19/h2-13H,1H3,(H,23,25)(H,24,26)/b11-4+