propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-(pyrazin-2-ylamino)propanoate

Systemtic Name: propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-(pyrazin-2-ylamino)propanoate Openeye Name: isopropyl 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(pyrazin-2-ylamino)propanoate CAS Name: 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(2-pyrazinylamino)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(pyrazin-2-ylamino)propanoate Traditional Name: 2-(1,3-dithiol-2-ylidene)-3-keto-3-(pyrazin-2-ylamino)propionic acid isopropyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=NC=CN=C2

Isomeric SMILES

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=NC=CN=C2

InChI

InChI=1S/C13H13N3O3S2/c1-8(2)19-12(18)10(13-20-5-6-21-13)11(17)16-9-7-14-3-4-15-9/h3-8H,1-2H3,(H,15,16,17)