thiiran-2-ylmethyl N-(3-isocyanato-4-methyl-phenyl)carbamate

Systemtic Name: thiiran-2-ylmethyl N-(3-isocyanato-4-methyl-phenyl)carbamate Openeye Name: thiiran-2-ylmethyl N-(3-isocyanato-4-methyl-phenyl)carbamate CAS Name: N-(3-isocyanato-4-methylphenyl)carbamic acid 2-thiiranylmethyl ester IUPAC Name: thiiran-2-ylmethyl N-(3-isocyanato-4-methylphenyl)carbamate Traditional Name: N-(3-isocyanato-4-methyl-phenyl)carbamic acid thiiran-2-ylmethyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCC2CS2)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCC2CS2)N=C=O

InChI

InChI=1S/C12H12N2O3S/c1-8-2-3-9(4-11(8)13-7-15)14-12(16)17-5-10-6-18-10/h2-4,10H,5-6H2,1H3,(H,14,16)