ethyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C16H19N3O4S/c1-2-23-15(21)11-3-4-12-13(9-11)24-16(17-12)18-14(20)10-19-5-7-22-8-6-19/h3-4,9H,2,5-8,10H2,1H3,(H,17,18,20)/p+1