[(Z)-1-cyano-4-(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)but-1-enyl] methanesulfinate

Systemtic Name: [(Z)-1-cyano-4-(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)but-1-enyl] methanesulfinate Openeye Name: [(Z)-1-cyano-4-(2-thioxo-3H-1,3-benzoxazol-5-yl)but-1-enyl] methanesulfinate CAS Name: methanesulfinic acid [(Z)-1-cyano-4-(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)but-1-enyl] ester IUPAC Name: [(Z)-1-cyano-4-(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)but-1-enyl] methanesulfinate Traditional Name: methanesulfinic acid [(Z)-1-cyano-4-(2-thioxo-3H-1,3-benzoxazol-5-yl)but-1-enyl] ester Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)OC(=CCCC1=CC2=C(C=C1)OC(=S)N2)C#N

Isomeric SMILES

CS(=O)O/C(=C\CCC1=CC2=C(C=C1)OC(=S)N2)/C#N

InChI

InChI=1S/C13H12N2O3S2/c1-20(16)18-10(8-14)4-2-3-9-5-6-12-11(7-9)15-13(19)17-12/h4-7H,2-3H2,1H3,(H,15,19)/b10-4-