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

Systemtic Name: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-nitrophenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-methoxy-2,2-dimethyl-1-[(3-nitrophenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-methoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H22N2O8S3 MolecularWeight: 586.65648

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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=CC(=CC=C4)[N+](=O)[O-])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=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)OC)C

InChI

InChI=1S/C26H22N2O8S3/c1-26(2)21(37)18(25-38-19(23(30)35-4)20(39-25)24(31)36-5)16-12-15(34-3)9-10-17(16)27(26)22(29)13-7-6-8-14(11-13)28(32)33/h6-12H,1-5H3