6-[2-(3-azaniumylpropanoylamino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-olate

Systemtic Name: 6-[2-(3-azaniumylpropanoylamino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-olate Openeye Name: 6-[2-(3-azaniumylpropanoylamino)thiazol-4-yl]-1,3-benzoxazol-2-olate CAS Name: 6-[2-[(3-ammonio-1-oxopropyl)amino]-4-thiazolyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-[2-(3-azaniumylpropanoylamino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-olate Traditional Name: 6-[2-(3-ammoniopropanoylamino)thiazol-4-yl]-1,3-benzoxazol-2-olate Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3=CSC(=N3)NC(=O)CC[NH3+])OC(=N2)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C3=CSC(=N3)NC(=O)CC[NH3+])OC(=N2)[O-]

InChI

InChI=1S/C13H12N4O3S/c14-4-3-11(18)17-12-15-9(6-21-12)7-1-2-8-10(5-7)20-13(19)16-8/h1-2,5-6H,3-4,14H2,(H,16,19)(H,15,17,18)