[[(2-ethoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-dithiophen-2-yl-methyl]phosphonic acid

Systemtic Name: [[(2-ethoxy-2-oxidanylidene-ethyl)-phenylmethoxycarbonyl-amino]-dithiophen-2-yl-methyl]phosphonic acid Openeye Name: [[benzyloxycarbonyl-(2-ethoxy-2-oxo-ethyl)amino]-bis(2-thienyl)methyl]phosphonic acid CAS Name: [[(2-ethoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-dithiophen-2-ylmethyl]phosphonic acid IUPAC Name: [[(2-ethoxy-2-oxoethyl)-phenylmethoxycarbonylamino]-dithiophen-2-ylmethyl]phosphonic acid Traditional Name: [[carbobenzoxy-(2-ethoxy-2-keto-ethyl)amino]-bis(2-thienyl)methyl]phosphonic acid Formula: C21H22NO7PS2 MolecularWeight: 495.505641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(=O)OCC1=CC=CC=C1)C(C2=CC=CS2)(C3=CC=CS3)P(=O)(O)O

Isomeric SMILES

CCOC(=O)CN(C(=O)OCC1=CC=CC=C1)C(C2=CC=CS2)(C3=CC=CS3)P(=O)(O)O

InChI

InChI=1S/C21H22NO7PS2/c1-2-28-19(23)14-22(20(24)29-15-16-8-4-3-5-9-16)21(30(25,26)27,17-10-6-12-31-17)18-11-7-13-32-18/h3-13H,2,14-15H2,1H3,(H2,25,26,27)