diethyl 2-[6-methoxy-2,2-dimethyl-1-[(E)-3-phenylprop-2-enoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-[(E)-3-phenylprop-2-enoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-[(E)-3-phenylprop-2-enoyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-methoxy-2,2-dimethyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-[(E)-3-phenylprop-2-enoyl]-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-methoxy-2,2-dimethyl-1-[(E)-3-phenylacryloyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C30H29NO6S3 MolecularWeight: 595.74936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C=CC4=CC=CC=C4)S1)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO6S3/c1-6-36-27(33)24-25(28(34)37-7-2)40-29(39-24)23-20-17-19(35-5)14-15-21(20)31(30(3,4)26(23)38)22(32)16-13-18-11-9-8-10-12-18/h8-17H,6-7H2,1-5H3/b16-13+