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

Systemtic Name: methyl 2-[[(Z)-2-bromanyl-3-phenyl-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(=CC3=CC=CC=C3)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C(=C/C3=CC=CC=C3)/Br

InChI

InChI=1S/C20H20BrNO3S/c1-12-8-9-14-16(10-12)26-19(17(14)20(24)25-2)22-18(23)15(21)11-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,22,23)/b15-11-