ethyl 4-[(5-chloranyl-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(5-chloro-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5-chloro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-chloro-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H19ClN3O2S2+ MolecularWeight: 372.91326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)SC2=S

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C3=C(C=CC(=C3)Cl)SC2=S

InChI

InChI=1S/C15H18ClN3O2S2/c1-2-21-14(20)18-7-5-17(6-8-18)10-19-12-9-11(16)3-4-13(12)23-15(19)22/h3-4,9H,2,5-8,10H2,1H3/p+1