ethyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O4S2/c1-3-25-17-10-9-16(21(28)29-4-2)13-18(17)31-22(25)23-19(26)14-30-15-20(27)24-11-7-5-6-8-12-24/h9-10,13H,3-8,11-12,14-15H2,1-2H3