isothiocyanato-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: isothiocyanato-(3,4,5-triethoxyphenyl)methanone Openeye Name: 3,4,5-triethoxybenzoyl isothiocyanate CAS Name: isothiocyanato-(3,4,5-triethoxyphenyl)methanone IUPAC Name: 3,4,5-triethoxybenzoyl isothiocyanate Traditional Name: isothiocyanato-(3,4,5-triethoxyphenyl)methanone Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C=S

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C=S

InChI

InChI=1S/C14H17NO4S/c1-4-17-11-7-10(14(16)15-9-20)8-12(18-5-2)13(11)19-6-3/h7-8H,4-6H2,1-3H3