dimethyl 2-[2,2,7-trimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[2,2,7-trimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2,7-trimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,7-trimethyl-1-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2,7-trimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2,7-trimethyl-1-[(E)-3-(4-nitrophenyl)acryloyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H24N2O7S3 MolecularWeight: 596.69436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-])(C)C

InChI

InChI=1S/C28H24N2O7S3/c1-15-6-12-18-19(14-15)29(20(31)13-9-16-7-10-17(11-8-16)30(34)35)28(2,3)24(38)21(18)27-39-22(25(32)36-4)23(40-27)26(33)37-5/h6-14H,1-5H3/b13-9+