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ethyl 1-ethyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-benzimidazole-5-carboxylate

ethyl 1-ethyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name:ethyl 1-ethyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-benzimidazole-5-carboxylate
Openeye Name:ethyl 1-ethyl-3-(morpholin-4-ium-4-ylmethyl)-2-thioxo-benzimidazole-5-carboxylate
CAS Name:1-ethyl-3-(4-morpholin-4-iumylmethyl)-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester
IUPAC Name:ethyl 1-ethyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidenebenzimidazole-5-carboxylate
Traditional Name:1-ethyl-3-(morpholin-4-ium-4-ylmethyl)-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester
Formula: C17H24N3O3S+
MolecularWeight: 350.45576
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCOCC3


Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCOCC3


InChI

InChI=1S/C17H23N3O3S/c1-3-19-14-6-5-13(16(21)23-4-2)11-15(14)20(17(19)24)12-18-7-9-22-10-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3/p+1


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