[3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-oxidanylidene-4-phenyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-oxidanylidene-4-phenyl-1-phosphono-butyl]phosphonic acid Openeye Name: [3-benzoyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [3-benzoyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [3-benzoyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [3-benzoyl-4-keto-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-phosphono-butyl]phosphonic acid Formula: C19H20N2O9P2S MolecularWeight: 514.382622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC(P(=O)(O)O)P(=O)(O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O9P2S/c1-30-12-7-8-14-15(9-12)33-19(20-14)21-18(23)13(17(22)11-5-3-2-4-6-11)10-16(31(24,25)26)32(27,28)29/h2-9,13,16H,10H2,1H3,(H,20,21,23)(H2,24,25,26)(H2,27,28,29)