1-[2-[4-(1,3-benzothiazol-2-ylamino)-2-methyl-phenoxy]ethanoylamino]propyl-ethoxy-phosphinic acid

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylamino)-2-methyl-phenoxy]ethanoylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methyl-phenoxy]acetyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methylphenoxy]-1-oxoethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methylphenoxy]acetyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-2-methyl-phenoxy]acetyl]amino]propyl-ethoxy-phosphinic acid Formula: C21H26N3O5PS MolecularWeight: 463.487001

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3S2)C)P(=O)(O)OCC

Isomeric SMILES

CCC(NC(=O)COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3S2)C)P(=O)(O)OCC

InChI

InChI=1S/C21H26N3O5PS/c1-4-20(30(26,27)29-5-2)24-19(25)13-28-17-11-10-15(12-14(17)3)22-21-23-16-8-6-7-9-18(16)31-21/h6-12,20H,4-5,13H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)