ethyl (2Z)-2-[6-ethoxy-2,2-dimethyl-1-(3-nitrophenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl (2Z)-2-[6-ethoxy-2,2-dimethyl-1-(3-nitrophenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl (2Z)-2-[6-ethoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: (2Z)-2-[6-ethoxy-2,2-dimethyl-1-[(3-nitrophenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[6-ethoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: (2Z)-2-[6-ethoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C32H28N2O6S3 MolecularWeight: 632.76952

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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)OCC)C4=CC=CC=C4)(C)C)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC\2=C(C=C1)N(C(C(=S)/C2=C\3/SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H28N2O6S3/c1-5-39-22-15-16-24-23(18-22)25(31-42-26(19-11-8-7-9-12-19)27(43-31)30(36)40-6-2)28(41)32(3,4)33(24)29(35)20-13-10-14-21(17-20)34(37)38/h7-18H,5-6H2,1-4H3/b31-25-