diethyl 5-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[5-(1,3-benzothiazol-2-ylthio)-2-furanyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-[5-(1,3-benzothiazol-2-ylthio)-2-furyl]-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H22N2O6S3 MolecularWeight: 566.66838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(O2)SC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC=C(O2)SC3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C27H22N2O6S3/c1-4-33-25(31)23-15(3)24(26(32)34-5-2)36-21(23)13-19(30)16(14-28)12-17-10-11-22(35-17)38-27-29-18-8-6-7-9-20(18)37-27/h6-12H,4-5,13H2,1-3H3