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

Systemtic Name: 3-azanyl-4-[2-(3-oxidanylidene-5-thiophen-2-yl-1,2-oxazol-4-yl)ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[3-oxo-5-(2-thienyl)isoxazol-4-yl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-(3-oxo-5-thiophen-2-yl-4-isoxazolyl)ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-(3-oxo-5-thiophen-2-yl-1,2-oxazol-4-yl)ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[3-keto-5-(2-thienyl)-4-isoxazolin-4-yl]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=O)NO2)CCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=O)NO2)CCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C13H11N3O4S/c14-8-9(11(18)10(8)17)15-4-3-6-12(20-16-13(6)19)7-2-1-5-21-7/h1-2,5,15H,3-4,14H2,(H,16,19)