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

Systemtic Name: 1-[2-[2-(1,3-benzothiazol-2-ylamino)-1,3-thiazol-4-yl]ethanoylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[2-[2-(1,3-benzothiazol-2-ylamino)thiazol-4-yl]acetyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[2-[2-(1,3-benzothiazol-2-ylamino)-4-thiazolyl]-1-oxoethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[2-[2-(1,3-benzothiazol-2-ylamino)-1,3-thiazol-4-yl]acetyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[2-[2-(1,3-benzothiazol-2-ylamino)thiazol-4-yl]acetyl]amino]propyl-ethoxy-phosphinic acid Formula: C17H21N4O4PS2 MolecularWeight: 440.476801

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)CC1=CSC(=N1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC

Isomeric SMILES

CCC(NC(=O)CC1=CSC(=N1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC

InChI

InChI=1S/C17H21N4O4PS2/c1-3-15(26(23,24)25-4-2)20-14(22)9-11-10-27-16(18-11)21-17-19-12-7-5-6-8-13(12)28-17/h5-8,10,15H,3-4,9H2,1-2H3,(H,20,22)(H,23,24)(H,18,19,21)