dimethyl 2-[1-(4-chloranyl-3-nitro-phenyl)carbonyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1-(4-chloranyl-3-nitro-phenyl)carbonyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(4-chloro-3-nitro-benzoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(4-chloro-3-nitrophenyl)-oxomethyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-chloro-3-nitrobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(4-chloro-3-nitro-benzoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H23ClN2O8S3 MolecularWeight: 635.12812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H23ClN2O8S3/c1-6-38-14-8-10-17-15(12-14)19(26-40-20(24(32)36-4)21(41-26)25(33)37-5)22(39)27(2,3)29(17)23(31)13-7-9-16(28)18(11-13)30(34)35/h7-12H,6H2,1-5H3