3-azanyl-2-(1,3-benzothiazol-2-yl)-4-carboxy-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-yl)-4-carboxy-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-carboxy-N-hydroxy-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-carboxy-N-hydroxy-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-carboxy-N-hydroxy-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-carboxy-N-hydroxy-1-keto-isoquinolin-7-amine oxide Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[NH+](O)[O-])C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[NH+](O)[O-])C(=O)O)N

InChI

InChI=1S/C17H12N4O5S/c18-14-13(16(23)24)9-6-5-8(21(25)26)7-10(9)15(22)20(14)17-19-11-3-1-2-4-12(11)27-17/h1-7,21,25H,18H2,(H,23,24)