S-morpholin-4-yl 5-isothiocyanato-2-methoxy-3-methyl-benzenecarbothioate

Systemtic Name: S-morpholin-4-yl 5-isothiocyanato-2-methoxy-3-methyl-benzenecarbothioate Openeye Name: S-morpholino 5-isothiocyanato-2-methoxy-3-methyl-benzenecarbothioate CAS Name: 5-isothiocyanato-2-methoxy-3-methylbenzenecarbothioic acid S-(4-morpholinyl) ester IUPAC Name: S-morpholin-4-yl 5-isothiocyanato-2-methoxy-3-methylbenzenecarbothioate Traditional Name: 5-isothiocyanato-2-methoxy-3-methyl-thiobenzoic acid S-morpholino ester Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)N=C=S)C(=O)SN2CCOCC2)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)N=C=S)C(=O)SN2CCOCC2)OC

InChI

InChI=1S/C14H16N2O3S2/c1-10-7-11(15-9-20)8-12(13(10)18-2)14(17)21-16-3-5-19-6-4-16/h7-8H,3-6H2,1-2H3