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1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propyl-ethoxy-phosphinic acid

1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propyl-ethoxy-phosphinic acid

Systemtic Name:1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propyl-ethoxy-phosphinic acid
Openeye Name:1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propyl-ethoxy-phosphinic acid
CAS Name:1-[[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-1-oxopropyl]amino]propyl-ethoxyphosphinic acid
IUPAC Name:1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propyl-ethoxyphosphinic acid
Traditional Name:1-[3-[4-(1,3-benzothiazol-2-ylamino)phenyl]propanoylamino]propyl-ethoxy-phosphinic acid
Formula: C21H26N3O4PS
MolecularWeight: 447.487601
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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC


Isomeric SMILES

CCC(NC(=O)CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC


InChI

InChI=1S/C21H26N3O4PS/c1-3-20(29(26,27)28-4-2)24-19(25)14-11-15-9-12-16(13-10-15)22-21-23-17-7-5-6-8-18(17)30-21/h5-10,12-13,20H,3-4,11,14H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)


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