ethyl 4-[2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

InChI

InChI=1S/C18H26N4O4S/c1-4-26-17(25)22-7-5-21(6-8-22)11-14(24)20-16-19-12-9-18(2,3)10-13(23)15(12)27-16/h4-11H2,1-3H3,(H,19,20,24)/p+1