ethyl 5-phenyl-2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: ethyl 5-phenyl-2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4-carboxylate CAS Name: 5-phenyl-2-[2,2,6,7-tetramethyl-1-(2-methyl-1-oxopropyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-isobutyryl-2,2,6,7-tetramethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C29H31NO3S3 MolecularWeight: 537.75634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=CC(=C(C=C3N(C(C2=S)(C)C)C(=O)C(C)C)C)C)S1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC(=C(C=C3N(C(C2=S)(C)C)C(=O)C(C)C)C)C)S1)C4=CC=CC=C4

InChI

InChI=1S/C29H31NO3S3/c1-8-33-27(32)24-23(19-12-10-9-11-13-19)35-28(36-24)22-20-14-17(4)18(5)15-21(20)30(26(31)16(2)3)29(6,7)25(22)34/h9-16H,8H2,1-7H3