[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C21H20ClNO4S/c22-14-8-9-18-16(12-14)23(15-6-2-3-7-17(15)28-18)19(24)13-27-20(25)21(26)10-4-1-5-11-21/h2-3,6-9,12,26H,1,4-5,10-11,13H2