ethanedioic acid; ethyl 4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)piperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-oxo-2-phenothiazin-10-yl-ethyl)piperazine-1-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[2-oxo-2-(10-phenothiazinyl)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-oxo-2-phenothiazin-10-ylethyl)piperazine-1-carboxylate; oxalic acid Traditional Name: 4-(2-keto-2-phenothiazin-10-yl-ethyl)piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O3S.C2H2O4/c1-2-27-21(26)23-13-11-22(12-14-23)15-20(25)24-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)24;3-1(4)2(5)6/h3-10H,2,11-15H2,1H3;(H,3,4)(H,5,6)