8-butyl-9-iodanyl-1-oxidanylidene-5H-pyrimido[2,1-c][1,4]benzothiazine-2-carboxylic acid

Systemtic Name: 8-butyl-9-iodanyl-1-oxidanylidene-5H-pyrimido[2,1-c][1,4]benzothiazine-2-carboxylic acid Openeye Name: 8-butyl-9-iodo-1-oxo-5H-pyrimido[2,1-c][1,4]benzothiazine-2-carboxylic acid CAS Name: 8-butyl-9-iodo-1-oxo-5H-pyrimido[2,1-c][1,4]benzothiazine-2-carboxylic acid IUPAC Name: 8-butyl-9-iodo-1-oxo-5H-pyrimido[2,1-c][1,4]benzothiazine-2-carboxylic acid Traditional Name: 8-butyl-9-iodo-1-keto-5H-pyrimido[2,1-c][1,4]benzothiazine-2-carboxylic acid Formula: C16H15IN2O3S MolecularWeight: 442.27137

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1I)N3C(=NC=C(C3=O)C(=O)O)CS2

Isomeric SMILES

CCCCC1=CC2=C(C=C1I)N3C(=NC=C(C3=O)C(=O)O)CS2

InChI

InChI=1S/C16H15IN2O3S/c1-2-3-4-9-5-13-12(6-11(9)17)19-14(8-23-13)18-7-10(15(19)20)16(21)22/h5-7H,2-4,8H2,1H3,(H,21,22)