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

Systemtic Name: ethyl 2-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]indol-1-yl]acetate CAS Name: 2-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]indol-1-yl]acetate Traditional Name: 2-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]indol-1-yl]acetic acid ethyl ester Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O2S2/c1-2-27-21(26)14-25-13-15(17-7-3-5-9-19(17)25)11-16(12-23)28-22-24-18-8-4-6-10-20(18)29-22/h3-11,13H,2,14H2,1H3