tert-butyl 2-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanylethanoate Openeye Name: tert-butyl 2-(1-anilino-2,2-dicyano-vinyl)sulfanylacetate CAS Name: 2-[(1-anilino-2,2-dicyanoethenyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-anilino-2,2-dicyanoethenyl)sulfanylacetate Traditional Name: 2-[(1-anilino-2,2-dicyano-vinyl)thio]acetic acid tert-butyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC(=C(C#N)C#N)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CSC(=C(C#N)C#N)NC1=CC=CC=C1

InChI

InChI=1S/C16H17N3O2S/c1-16(2,3)21-14(20)11-22-15(12(9-17)10-18)19-13-7-5-4-6-8-13/h4-8,19H,11H2,1-3H3