methyl 2-aminocarbonylsulfanylethanoate; S-phenethyl carbamothioate

Systemtic Name: methyl 2-aminocarbonylsulfanylethanoate; S-phenethyl carbamothioate Openeye Name: methyl 2-carbamoylsulfanylacetate; S-phenethyl carbamothioate CAS Name: carbamothioic acid S-phenethyl ester; 2-(carbamoylthio)acetic acid methyl ester IUPAC Name: methyl 2-carbamoylsulfanylacetate; S-phenethyl carbamothioate Traditional Name: 2-(carbamoylthio)acetic acid methyl ester; thiocarbamic acid S-phenethyl ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=O)N.C1=CC=C(C=C1)CCSC(=O)N

Isomeric SMILES

COC(=O)CSC(=O)N.C1=CC=C(C=C1)CCSC(=O)N

InChI

InChI=1S/C9H11NOS.C4H7NO3S/c10-9(11)12-7-6-8-4-2-1-3-5-8;1-8-3(6)2-9-4(5)7/h1-5H,6-7H2,(H2,10,11);2H2,1H3,(H2,5,7)