ethyl (E)-3-(carbamothioylamino)-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-(carbamothioylamino)-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(carbamothioylamino)-2-cyano-prop-2-enoate CAS Name: (E)-3-(carbamothioylamino)-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(carbamothioylamino)-2-cyanoprop-2-enoate Traditional Name: (E)-2-cyano-3-thioureido-acrylic acid ethyl ester Formula: C7H9N3O2S MolecularWeight: 199.23026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC(=S)N)/C#N

InChI

InChI=1S/C7H9N3O2S/c1-2-12-6(11)5(3-8)4-10-7(9)13/h4H,2H2,1H3,(H3,9,10,13)/b5-4+