[4-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-methoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-methoxybenzoate Openeye Name: [4-bromo-2-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [4-bromo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-bromo-2-[(E)-3-(2-thienyl)acryloyl]phenyl] ester Formula: C21H15BrO4S MolecularWeight: 443.3104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C(=O)C=CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H15BrO4S/c1-25-19-7-3-2-6-16(19)21(24)26-20-11-8-14(22)13-17(20)18(23)10-9-15-5-4-12-27-15/h2-13H,1H3/b10-9+