ethyl (2R)-3-(carbamothioylsulfanylamino)-2-chloranyl-but-3-enoate

Systemtic Name: ethyl (2R)-3-(carbamothioylsulfanylamino)-2-chloranyl-but-3-enoate Openeye Name: ethyl (2R)-3-(carbamothioylsulfanylamino)-2-chloro-but-3-enoate CAS Name: (2R)-3-[(carbamothioylthio)amino]-2-chloro-3-butenoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(carbamothioylsulfanylamino)-2-chlorobut-3-enoate Traditional Name: (2R)-2-chloro-3-[(thiocarbamoylthio)amino]but-3-enoic acid ethyl ester Formula: C7H11ClN2O2S2 MolecularWeight: 254.75744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C)NSC(=S)N)Cl

Isomeric SMILES

CCOC(=O)[C@@H](C(=C)NSC(=S)N)Cl

InChI

InChI=1S/C7H11ClN2O2S2/c1-3-12-6(11)5(8)4(2)10-14-7(9)13/h5,10H,2-3H2,1H3,(H2,9,13)/t5-/m1/s1