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

Systemtic Name: ethyl 2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(2-keto-2-morpholino-ethyl)thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S2/c1-3-7-24-16-6-5-15(20(27)29-4-2)12-17(16)31-21(24)22-18(25)13-30-14-19(26)23-8-10-28-11-9-23/h1,5-6,12H,4,7-11,13-14H2,2H3