2-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

InChI

InChI=1S/C21H23BrN2O3S/c1-3-27-16-8-6-14(22)11-13(16)5-9-18(25)24-21-19(20(23)26)15-7-4-12(2)10-17(15)28-21/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H2,23,26)(H,24,25)/b9-5+