7-thiabicyclo[4.1.0]heptan-4-ylmethyl N-(3-isocyanato-4-methyl-phenyl)carbamate

Systemtic Name: 7-thiabicyclo[4.1.0]heptan-4-ylmethyl N-(3-isocyanato-4-methyl-phenyl)carbamate Openeye Name: 7-thiabicyclo[4.1.0]heptan-4-ylmethyl N-(3-isocyanato-4-methyl-phenyl)carbamate CAS Name: N-(3-isocyanato-4-methylphenyl)carbamic acid 7-thiabicyclo[4.1.0]heptan-4-ylmethyl ester IUPAC Name: 7-thiabicyclo[4.1.0]heptan-4-ylmethyl N-(3-isocyanato-4-methylphenyl)carbamate Traditional Name: N-(3-isocyanato-4-methyl-phenyl)carbamic acid 7-thiabicyclo[4.1.0]heptan-4-ylmethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCC2CCC3C(C2)S3)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCC2CCC3C(C2)S3)N=C=O

InChI

InChI=1S/C16H18N2O3S/c1-10-2-4-12(7-13(10)17-9-19)18-16(20)21-8-11-3-5-14-15(6-11)22-14/h2,4,7,11,14-15H,3,5-6,8H2,1H3,(H,18,20)