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

Systemtic Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-oxoethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3CCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-3-24-16-10-9-14(20(27)28-2)11-17(16)30-21(24)23-19(26)13-29-12-18(25)22-15-7-5-4-6-8-15/h9-11,15H,3-8,12-13H2,1-2H3,(H,22,25)