dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-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-[6-ethoxy-2,2-dimethyl-1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-ethoxy-2,2-dimethyl-1-[(E)-3-(4-nitrophenyl)acryloyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C29H26N2O8S3 MolecularWeight: 626.72034

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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)C=CC4=CC=C(C=C4)[N+](=O)[O-]

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)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H26N2O8S3/c1-6-39-18-12-13-20-19(15-18)22(28-41-23(26(33)37-4)24(42-28)27(34)38-5)25(40)29(2,3)30(20)21(32)14-9-16-7-10-17(11-8-16)31(35)36/h7-15H,6H2,1-5H3/b14-9+