ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,4-dihydro-2H-naphthalen-1-ylidene]ethanoate

Systemtic Name: ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,4-dihydro-2H-naphthalen-1-ylidene]ethanoate Openeye Name: ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyltetralin-1-ylidene]acetate CAS Name: 2-cyano-2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-3,4-dihydro-2H-naphthalen-1-ylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3,4-dihydro-2H-naphthalen-1-ylidene]acetate Traditional Name: 2-cyano-2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]tetralin-1-ylidene]acetic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(CCC2=CC=CC=C21)SC3=NC(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C(=C1C(CCC2=CC=CC=C21)SC3=NC(=CC(=N3)C)C)C#N

InChI

InChI=1S/C21H21N3O2S/c1-4-26-20(25)17(12-22)19-16-8-6-5-7-15(16)9-10-18(19)27-21-23-13(2)11-14(3)24-21/h5-8,11,18H,4,9-10H2,1-3H3