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

Systemtic Name: ethyl 2-[[(Z)-2-bromanyl-3-phenyl-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(Z)-2-bromo-3-phenyl-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(Z)-2-bromo-1-oxo-3-phenylprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(Z)-2-bromo-3-phenylprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-bromo-3-phenyl-acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CC=CC=C3)/Br

InChI

InChI=1S/C21H22BrNO3S/c1-3-26-21(25)18-15-10-9-13(2)11-17(15)27-20(18)23-19(24)16(22)12-14-7-5-4-6-8-14/h4-8,12-13H,3,9-11H2,1-2H3,(H,23,24)/b16-12-