ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H20N4O3S/c1-2-23-16(22)20-9-7-19(8-10-20)11-14(21)18-15-17-12-5-3-4-6-13(12)24-15/h3-6H,2,7-11H2,1H3,(H,17,18,21)/p+1