methyl 4-(isothiocyanatomethyl)cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 4-(isothiocyanatomethyl)cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 4-(isothiocyanatomethyl)cyclohexa-1,5-diene-1-carboxylate CAS Name: 4-(isothiocyanatomethyl)-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-(isothiocyanatomethyl)cyclohexa-1,5-diene-1-carboxylate Traditional Name: 4-(isothiocyanatomethyl)cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C10H11NO2S MolecularWeight: 209.26484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC(C=C1)CN=C=S

Isomeric SMILES

COC(=O)C1=CCC(C=C1)CN=C=S

InChI

InChI=1S/C10H11NO2S/c1-13-10(12)9-4-2-8(3-5-9)6-11-7-14/h2,4-5,8H,3,6H2,1H3