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

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxy-2-oxo-ethyl)-2-[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxy-2-oxoethyl)-2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[2-[(2-keto-2-morpholino-ethyl)thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCOCC3)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCOCC3)S2)CC(=O)OC

InChI

InChI=1S/C21H25N3O7S2/c1-3-31-20(28)14-4-5-15-16(10-14)33-21(24(15)11-19(27)29-2)22-17(25)12-32-13-18(26)23-6-8-30-9-7-23/h4-5,10H,3,6-9,11-13H2,1-2H3