methyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfonylacetyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonylacetyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-(cyclohexylamino)-2-keto-ethyl]sulfonylacetyl]imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H29N3O8S2 MolecularWeight: 539.62166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3CCCCC3

InChI

InChI=1S/C23H29N3O8S2/c1-3-34-21(29)12-26-17-10-9-15(22(30)33-2)11-18(17)35-23(26)25-20(28)14-36(31,32)13-19(27)24-16-7-5-4-6-8-16/h9-11,16H,3-8,12-14H2,1-2H3,(H,24,27)