methyl 2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[2-(2-morpholino-2-oxo-ethyl)sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(4-morpholinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[2-(2-keto-2-morpholino-ethyl)sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCOCC3)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCOCC3)S2)CC=C

InChI

InChI=1S/C20H23N3O7S2/c1-3-6-23-15-5-4-14(19(26)29-2)11-16(15)31-20(23)21-17(24)12-32(27,28)13-18(25)22-7-9-30-10-8-22/h3-5,11H,1,6-10,12-13H2,2H3