ethyl 6-(1,3-benzodioxol-5-yl)-4-(3-bromanylthiophen-2-yl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-(3-bromanylthiophen-2-yl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-(3-bromo-2-thienyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-4-(3-bromo-2-thiophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzodioxol-5-yl)-4-(3-bromothiophen-2-yl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-4-(3-bromo-2-thienyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H17BrO5S MolecularWeight: 449.31498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CS2)Br)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CS2)Br)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17BrO5S/c1-2-24-20(23)18-13(11-3-4-16-17(9-11)26-10-25-16)7-12(8-15(18)22)19-14(21)5-6-27-19/h3-6,8-9,13,18H,2,7,10H2,1H3