ethyl prop-2-ynoate; 2-isocyanato-1,1-bis(isocyanatomethylsulfanyl)ethane

Systemtic Name: ethyl prop-2-ynoate; 2-isocyanato-1,1-bis(isocyanatomethylsulfanyl)ethane Openeye Name: ethyl prop-2-ynoate; 2-isocyanato-1,1-bis(isocyanatomethylsulfanyl)ethane CAS Name: 2-isocyanato-1,1-bis(isocyanatomethylthio)ethane; 2-propynoic acid ethyl ester IUPAC Name: ethyl prop-2-ynoate; 2-isocyanato-1,1-bis(isocyanatomethylsulfanyl)ethane Traditional Name: 2-isocyanato-1,1-bis(isocyanatomethylthio)ethane; propiolic acid ethyl ester Formula: C12H13N3O5S2 MolecularWeight: 343.37872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#C.C(C(SCN=C=O)SCN=C=O)N=C=O

Isomeric SMILES

CCOC(=O)C#C.C(C(SCN=C=O)SCN=C=O)N=C=O

InChI

InChI=1S/C7H7N3O3S2.C5H6O2/c11-2-8-1-7(14-5-9-3-12)15-6-10-4-13;1-3-5(6)7-4-2/h7H,1,5-6H2;1H,4H2,2H3