ethyl 4-[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C19H22N4O3S/c1-3-26-19(25)23-10-8-22(9-11-23)13-16(24)14(12-20)18-21(2)15-6-4-5-7-17(15)27-18/h4-7H,3,8-11,13H2,1-2H3/p+1/b18-14-