dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[anilino(oxo)methyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H26N2O6S3 MolecularWeight: 570.70014

Click to see the large picture

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)NC4=CC=CC=C4

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)NC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O6S3/c1-6-35-16-12-13-18-17(14-16)19(25-37-20(23(30)33-4)21(38-25)24(31)34-5)22(36)27(2,3)29(18)26(32)28-15-10-8-7-9-11-15/h7-14H,6H2,1-5H3,(H,28,32)