O-[[2-(tert-butylamino)-4-chloranyl-phenyl]methyl] methanethioate

Systemtic Name: O-[[2-(tert-butylamino)-4-chloranyl-phenyl]methyl] methanethioate Openeye Name: O-[[2-(tert-butylamino)-4-chloro-phenyl]methyl] methanethioate CAS Name: methanethioic acid O-[[2-(tert-butylamino)-4-chlorophenyl]methyl] ester IUPAC Name: O-[[2-(tert-butylamino)-4-chlorophenyl]methyl] methanethioate Traditional Name: methanethioic acid O-[2-(tert-butylamino)-4-chloro-benzyl] ester Formula: C12H16ClNOS MolecularWeight: 257.77954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C=CC(=C1)Cl)COC=S

Isomeric SMILES

CC(C)(C)NC1=C(C=CC(=C1)Cl)COC=S

InChI

InChI=1S/C12H16ClNOS/c1-12(2,3)14-11-6-10(13)5-4-9(11)7-15-8-16/h4-6,8,14H,7H2,1-3H3