ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)tetralin-1-ylidene]-2-cyano-acetate CAS Name: 2-[2-(1,3-benzothiazol-2-ylthio)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-3,4-dihydro-2H-naphthalen-1-ylidene]-2-cyanoacetate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)tetralin-1-ylidene]-2-cyano-acetic acid ethyl ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(CCC2=CC=CC=C21)SC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCOC(=O)C(=C1C(CCC2=CC=CC=C21)SC3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C22H18N2O2S2/c1-2-26-21(25)16(13-23)20-15-8-4-3-7-14(15)11-12-19(20)28-22-24-17-9-5-6-10-18(17)27-22/h3-10,19H,2,11-12H2,1H3