ethyl 6-methoxy-2,2-dimethyl-4-(4-phenyl-5-propanoyl-1,3-dithiol-2-ylidene)-3-sulfanylidene-quinoline-1-carboxylate

Systemtic Name: ethyl 6-methoxy-2,2-dimethyl-4-(4-phenyl-5-propanoyl-1,3-dithiol-2-ylidene)-3-sulfanylidene-quinoline-1-carboxylate Openeye Name: ethyl 6-methoxy-2,2-dimethyl-4-(4-phenyl-5-propanoyl-1,3-dithiol-2-ylidene)-3-thioxo-quinoline-1-carboxylate CAS Name: 6-methoxy-2,2-dimethyl-4-[4-(1-oxopropyl)-5-phenyl-1,3-dithiol-2-ylidene]-3-sulfanylidene-1-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-2,2-dimethyl-4-(4-phenyl-5-propanoyl-1,3-dithiol-2-ylidene)-3-sulfanylidenequinoline-1-carboxylate Traditional Name: 6-methoxy-2,2-dimethyl-4-(4-phenyl-5-propionyl-1,3-dithiol-2-ylidene)-3-thioxo-quinoline-1-carboxylic acid ethyl ester Formula: C27H27NO4S3 MolecularWeight: 525.70258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)OCC)S1)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)OCC)S1)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO4S3/c1-6-20(29)23-22(16-11-9-8-10-12-16)34-25(35-23)21-18-15-17(31-5)13-14-19(18)28(26(30)32-7-2)27(3,4)24(21)33/h8-15H,6-7H2,1-5H3