[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]phosphonic acid

Systemtic Name: [1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]phosphonic acid Openeye Name: [1-(5-methylbenzothiophen-3-yl)-2-(2-naphthylamino)-2-oxo-ethyl]phosphonic acid CAS Name: [1-(5-methyl-1-benzothiophen-3-yl)-2-(2-naphthalenylamino)-2-oxoethyl]phosphonic acid IUPAC Name: [1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid Traditional Name: [2-keto-1-(5-methylbenzothiophen-3-yl)-2-(2-naphthylamino)ethyl]phosphonic acid Formula: C21H18NO4PS MolecularWeight: 411.410681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C2C(C(=O)NC3=CC4=CC=CC=C4C=C3)P(=O)(O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C2C(C(=O)NC3=CC4=CC=CC=C4C=C3)P(=O)(O)O

InChI

InChI=1S/C21H18NO4PS/c1-13-6-9-19-17(10-13)18(12-28-19)20(27(24,25)26)21(23)22-16-8-7-14-4-2-3-5-15(14)11-16/h2-12,20H,1H3,(H,22,23)(H2,24,25,26)