[(4-isothiocyanatophenyl)-methyl-amino] ethanoate

Systemtic Name: [(4-isothiocyanatophenyl)-methyl-amino] ethanoate Openeye Name: (4-isothiocyanato-N-methyl-anilino) acetate CAS Name: acetic acid (4-isothiocyanato-N-methylanilino) ester IUPAC Name: (4-isothiocyanato-N-methylanilino) acetate Traditional Name: acetic acid (4-isothiocyanato-N-methyl-anilino) ester Formula: C10H10N2O2S MolecularWeight: 222.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON(C)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(=O)ON(C)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C10H10N2O2S/c1-8(13)14-12(2)10-5-3-9(4-6-10)11-7-15/h3-6H,1-2H3