[2-(2-azanyl-5-ethyl-1,3-thiazol-4-yl)-5-(1-phenylpropyl)furan-3-yl]phosphonic acid

Systemtic Name: [2-(2-azanyl-5-ethyl-1,3-thiazol-4-yl)-5-(1-phenylpropyl)furan-3-yl]phosphonic acid Openeye Name: [2-(2-amino-5-ethyl-thiazol-4-yl)-5-(1-phenylpropyl)-3-furyl]phosphonic acid CAS Name: [2-(2-amino-5-ethyl-4-thiazolyl)-5-(1-phenylpropyl)-3-furanyl]phosphonic acid IUPAC Name: [2-(2-amino-5-ethyl-1,3-thiazol-4-yl)-5-(1-phenylpropyl)furan-3-yl]phosphonic acid Traditional Name: [2-(2-amino-5-ethyl-thiazol-4-yl)-5-(1-phenylpropyl)-3-furyl]phosphonic acid Formula: C18H21N2O4PS MolecularWeight: 392.409101

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)N)C2=C(C=C(O2)C(CC)C3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CCC1=C(N=C(S1)N)C2=C(C=C(O2)C(CC)C3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C18H21N2O4PS/c1-3-12(11-8-6-5-7-9-11)13-10-14(25(21,22)23)17(24-13)16-15(4-2)26-18(19)20-16/h5-10,12H,3-4H2,1-2H3,(H2,19,20)(H2,21,22,23)