ethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-(1-oxopentyl)-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(6-ethoxy-2,2-dimethyl-1-pentanoyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(6-ethoxy-2,2-dimethyl-3-thioxo-1-valeryl-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C30H33NO4S3 MolecularWeight: 567.78232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C

Isomeric SMILES

CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C

InChI

InChI=1S/C30H33NO4S3/c1-6-9-15-23(32)31-22-17-16-20(34-7-2)18-21(22)24(27(36)30(31,4)5)29-37-25(19-13-11-10-12-14-19)26(38-29)28(33)35-8-3/h10-14,16-18H,6-9,15H2,1-5H3