methyl 5-isothiocyanato-2-methoxy-4-methyl-benzoate

Systemtic Name: methyl 5-isothiocyanato-2-methoxy-4-methyl-benzoate Openeye Name: methyl 5-isothiocyanato-2-methoxy-4-methyl-benzoate CAS Name: 5-isothiocyanato-2-methoxy-4-methylbenzoic acid methyl ester IUPAC Name: methyl 5-isothiocyanato-2-methoxy-4-methylbenzoate Traditional Name: 5-isothiocyanato-2-methoxy-4-methyl-benzoic acid methyl ester Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)OC)N=C=S

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)OC)N=C=S

InChI

InChI=1S/C11H11NO3S/c1-7-4-10(14-2)8(11(13)15-3)5-9(7)12-6-16/h4-5H,1-3H3