dimethyl 2-[1-(1,3-benzodioxol-5-ylcarbonyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1-(1,3-benzodioxol-5-ylcarbonyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(1,3-benzodioxole-5-carbonyl)-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[1,3-benzodioxol-5-yl(oxo)methyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(1,3-benzodioxole-5-carbonyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(6-methoxy-2,2-dimethyl-1-piperonyloyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H23NO8S3 MolecularWeight: 585.66842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC5=C(C=C4)OCO5)C=CC(=C3)OC)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC5=C(C=C4)OCO5)C=CC(=C3)OC)C

InChI

InChI=1S/C27H23NO8S3/c1-27(2)22(37)19(26-38-20(24(30)33-4)21(39-26)25(31)34-5)15-11-14(32-3)7-8-16(15)28(27)23(29)13-6-9-17-18(10-13)36-12-35-17/h6-11H,12H2,1-5H3