methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C24H19N3O2S2 MolecularWeight: 445.55656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H19N3O2S2/c1-15-12-18(16(2)27(15)19-10-8-17(9-11-19)23(28)29-3)13-20(14-25)30-24-26-21-6-4-5-7-22(21)31-24/h4-13H,1-3H3