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

Systemtic Name: methyl 2-[[(Z)-2-bromanyl-3-phenyl-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(Z)-2-bromo-3-phenyl-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(Z)-2-bromo-1-oxo-3-phenylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-bromo-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-bromo-3-phenyl-acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=CC=C3)/Br

InChI

InChI=1S/C19H18BrNO3S/c1-24-19(23)16-13-9-5-6-10-15(13)25-18(16)21-17(22)14(20)11-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,22)/b14-11-