ethyl 3-(2-ethoxyethyl)-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[2-[(2-keto-2-morpholino-ethyl)thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCOCC3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCOCC3

InChI

InChI=1S/C22H29N3O6S2/c1-3-29-12-9-25-17-6-5-16(21(28)31-4-2)13-18(17)33-22(25)23-19(26)14-32-15-20(27)24-7-10-30-11-8-24/h5-6,13H,3-4,7-12,14-15H2,1-2H3