dimethyl 2-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-methoxy-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-(6-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-acryloyl-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C22H21NO6S3 MolecularWeight: 491.60024

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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)C=C)C=CC(=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S3/c1-7-14(24)23-13-9-8-11(27-4)10-12(13)15(18(30)22(23,2)3)21-31-16(19(25)28-5)17(32-21)20(26)29-6/h7-10H,1H2,2-6H3