(4-methyl-3-oxidanylidene-pent-4-enyl) 4-isothiocyanatobenzoate

Systemtic Name: (4-methyl-3-oxidanylidene-pent-4-enyl) 4-isothiocyanatobenzoate Openeye Name: (4-methyl-3-oxo-pent-4-enyl) 4-isothiocyanatobenzoate CAS Name: 4-isothiocyanatobenzoic acid (4-methyl-3-oxopent-4-enyl) ester IUPAC Name: (4-methyl-3-oxopent-4-enyl) 4-isothiocyanatobenzoate Traditional Name: 4-isothiocyanatobenzoic acid (3-keto-4-methyl-pent-4-enyl) ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)CCOC(=O)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(=C)C(=O)CCOC(=O)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C14H13NO3S/c1-10(2)13(16)7-8-18-14(17)11-3-5-12(6-4-11)15-9-19/h3-6H,1,7-8H2,2H3