[3-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2,4,6-trimethyl-phenyl]methyl ethanoate

Systemtic Name: [3-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)-2,4,6-trimethyl-phenyl]methyl ethanoate Openeye Name: [3-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2,4,6-trimethyl-phenyl]methyl acetate CAS Name: acetic acid [3-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2,4,6-trimethylphenyl]methyl ester IUPAC Name: [3-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2,4,6-trimethylphenyl]methyl acetate Traditional Name: acetic acid [3-(3-amino-2-cyano-3-thioxo-prop-1-enyl)-2,4,6-trimethyl-benzyl] ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C=C(C#N)C(=S)N)C)COC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C=C(C#N)C(=S)N)C)COC(=O)C)C

InChI

InChI=1S/C16H18N2O2S/c1-9-5-10(2)15(8-20-12(4)19)11(3)14(9)6-13(7-17)16(18)21/h5-6H,8H2,1-4H3,(H2,18,21)