2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylidene]propanedioate

Systemtic Name: 2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylidene]propanedioate Openeye Name: 2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[[6-(ethylthio)-4-quinazolinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[(6-ethylsulfanylquinazolin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[6-(ethylthio)quinazolin-4-yl]amino]methylene]malonate Formula: C14H11N3O4S-2 MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCSC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-2-22-8-3-4-11-9(5-8)12(17-7-16-11)15-6-10(13(18)19)14(20)21/h3-7H,2H2,1H3,(H,18,19)(H,20,21)(H,15,16,17)/p-2