1-[[8-(1,3-benzothiazol-2-ylamino)-3,4-dihydro-2H-chromen-2-yl]carbonylamino]butan-2-yl-ethoxy-phosphinic acid

Systemtic Name: 1-[[8-(1,3-benzothiazol-2-ylamino)-3,4-dihydro-2H-chromen-2-yl]carbonylamino]butan-2-yl-ethoxy-phosphinic acid Openeye Name: 1-[[[8-(1,3-benzothiazol-2-ylamino)chromane-2-carbonyl]amino]methyl]propyl-ethoxy-phosphinic acid CAS Name: 1-[[[8-(1,3-benzothiazol-2-ylamino)-3,4-dihydro-2H-1-benzopyran-2-yl]-oxomethyl]amino]butan-2-yl-ethoxyphosphinic acid IUPAC Name: 1-[[8-(1,3-benzothiazol-2-ylamino)-3,4-dihydro-2H-chromene-2-carbonyl]amino]butan-2-yl-ethoxyphosphinic acid Traditional Name: 1-[[[8-(1,3-benzothiazol-2-ylamino)chroman-2-carbonyl]amino]methyl]propyl-ethoxy-phosphinic acid Formula: C23H28N3O5PS MolecularWeight: 489.524281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCC2=C(O1)C(=CC=C2)NC3=NC4=CC=CC=C4S3)P(=O)(O)OCC

Isomeric SMILES

CCC(CNC(=O)C1CCC2=C(O1)C(=CC=C2)NC3=NC4=CC=CC=C4S3)P(=O)(O)OCC

InChI

InChI=1S/C23H28N3O5PS/c1-3-16(32(28,29)30-4-2)14-24-22(27)19-13-12-15-8-7-10-18(21(15)31-19)26-23-25-17-9-5-6-11-20(17)33-23/h5-11,16,19H,3-4,12-14H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)