tert-butyl 2-[(4-isothiocyanatophenyl)-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[(4-isothiocyanatophenyl)-methyl-amino]ethanoate Openeye Name: tert-butyl 2-(4-isothiocyanato-N-methyl-anilino)acetate CAS Name: 2-(4-isothiocyanato-N-methylanilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-isothiocyanato-N-methylanilino)acetate Traditional Name: 2-(4-isothiocyanato-N-methyl-anilino)acetic acid tert-butyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C14H18N2O2S/c1-14(2,3)18-13(17)9-16(4)12-7-5-11(6-8-12)15-10-19/h5-8H,9H2,1-4H3