S-phenethyl 3-aminocarbonyloxirane-2-carbothioate

Systemtic Name: S-phenethyl 3-aminocarbonyloxirane-2-carbothioate Openeye Name: S-phenethyl 3-carbamoyloxirane-2-carbothioate CAS Name: 3-carbamoyl-2-oxiranecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 3-carbamoyloxirane-2-carbothioate Traditional Name: 3-carbamoyloxirane-2-carbothioic acid S-phenethyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC(=O)C2C(O2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC(=O)C2C(O2)C(=O)N

InChI

InChI=1S/C12H13NO3S/c13-11(14)9-10(16-9)12(15)17-7-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,13,14)