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

Systemtic Name: [2-(5-chloranyl-1-benzothiophen-3-yl)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]phosphonic acid Openeye Name: [1-(5-chlorobenzothiophen-3-yl)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]phosphonic acid CAS Name: [2-(5-chloro-1-benzothiophen-3-yl)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]phosphonic acid IUPAC Name: [2-(5-chloro-1-benzothiophen-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]phosphonic acid Traditional Name: [1-(5-chlorobenzothiophen-3-yl)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]phosphonic acid Formula: C21H17ClNO4PS MolecularWeight: 445.855741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC2=C1C=C(C=C2)Cl)(C(=O)NC3=CC4=CC=CC=C4C=C3)P(=O)(O)O

Isomeric SMILES

CC(C1=CSC2=C1C=C(C=C2)Cl)(C(=O)NC3=CC4=CC=CC=C4C=C3)P(=O)(O)O

InChI

InChI=1S/C21H17ClNO4PS/c1-21(28(25,26)27,18-12-29-19-9-7-15(22)11-17(18)19)20(24)23-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,23,24)(H2,25,26,27)