2-[[(7-butyl-6-iodanyl-2H-1,4-benzothiazin-3-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(7-butyl-6-iodanyl-2H-1,4-benzothiazin-3-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(7-butyl-6-iodo-2H-1,4-benzothiazin-3-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(7-butyl-6-iodo-2H-1,4-benzothiazin-3-yl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(7-butyl-6-iodo-2H-1,4-benzothiazin-3-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(7-butyl-6-iodo-2H-1,4-benzothiazin-3-yl)amino]methylene]malonic acid Formula: C16H17IN2O4S MolecularWeight: 460.28665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1I)N=C(CS2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1I)N=C(CS2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H17IN2O4S/c1-2-3-4-9-5-13-12(6-11(9)17)19-14(8-24-13)18-7-10(15(20)21)16(22)23/h5-7H,2-4,8H2,1H3,(H,18,19)(H,20,21)(H,22,23)