dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(3-nitrophenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(3-nitrophenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[8-ethoxy-2,2-dimethyl-1-[(3-nitrophenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[8-ethoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H24N2O8S3 MolecularWeight: 600.68306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O8S3/c1-6-37-17-12-8-11-16-18(26-39-20(24(31)35-4)21(40-26)25(32)36-5)22(38)27(2,3)28(19(16)17)23(30)14-9-7-10-15(13-14)29(33)34/h7-13H,6H2,1-5H3