[(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-1-phosphono-prop-2-enyl]phosphonic acid

Systemtic Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-1-phosphono-prop-2-enyl]phosphonic acid Openeye Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-1-phosphono-allyl]phosphonic acid CAS Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-1-phosphonoprop-2-enyl]phosphonic acid IUPAC Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-1-phosphonoprop-2-enyl]phosphonic acid Traditional Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-dimethylaminophenyl)-1-phosphono-allyl]phosphonic acid Formula: C18H20N2O6P2S MolecularWeight: 454.373722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3S2)/C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H20N2O6P2S/c1-20(2)13-9-7-12(8-10-13)11-14(18(27(21,22)23)28(24,25)26)17-19-15-5-3-4-6-16(15)29-17/h3-11,18H,1-2H3,(H2,21,22,23)(H2,24,25,26)/b14-11+