ethyl 2-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]-2-methyl-indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]-2-methyl-indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-methyl-indol-1-yl]acetate CAS Name: 2-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-methyl-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]-2-methylindol-1-yl]acetate Traditional Name: 2-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2-methyl-indol-1-yl]acetic acid ethyl ester Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=C(C#N)SC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=C(C#N)SC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H19N3O2S2/c1-3-28-22(27)14-26-15(2)18(17-8-4-6-10-20(17)26)12-16(13-24)29-23-25-19-9-5-7-11-21(19)30-23/h4-12H,3,14H2,1-2H3