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

Systemtic Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetyl]imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O6S2/c1-3-32-21(29)13-26-17-9-8-16(22(30)31-2)12-18(17)34-23(26)24-19(27)14-33-15-20(28)25-10-6-4-5-7-11-25/h8-9,12H,3-7,10-11,13-15H2,1-2H3