dimethyl 2-(2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(2,2-dimethyl-1-prop-2-enoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-(1-oxoprop-2-enyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-acryloyl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C21H19NO5S3 MolecularWeight: 461.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C=C)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C=C)C

InChI

InChI=1S/C21H19NO5S3/c1-6-13(23)22-12-10-8-7-9-11(12)14(17(28)21(22,2)3)20-29-15(18(24)26-4)16(30-20)19(25)27-5/h6-10H,1H2,2-5H3