3-azanyl-4-[(3-oxidanylidene-5-thiophen-3-yl-1,2-oxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[(3-oxidanylidene-5-thiophen-3-yl-1,2-oxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[[3-oxo-5-(3-thienyl)isoxazol-4-yl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[[3-oxo-5-(3-thiophenyl)-4-isoxazolyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[(3-oxo-5-thiophen-3-yl-1,2-oxazol-4-yl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[[3-keto-5-(3-thienyl)-4-isoxazolin-4-yl]methylamino]cyclobut-3-ene-1,2-quinone Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C2=C(C(=O)NO2)CNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1=CSC=C1C2=C(C(=O)NO2)CNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C12H9N3O4S/c13-7-8(10(17)9(7)16)14-3-6-11(19-15-12(6)18)5-1-2-20-4-5/h1-2,4,14H,3,13H2,(H,15,18)