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

Systemtic Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3CCCCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3CCCCC3

InChI

InChI=1S/C20H25N3O4S2/c1-23-15-9-8-13(19(26)27-2)10-16(15)29-20(23)22-18(25)12-28-11-17(24)21-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,21,24)