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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)C

InChI

InChI=1S/C21H27N3O4S2/c1-3-28-20(27)15-8-9-16-17(12-15)30-21(23(16)2)22-18(25)13-29-14-19(26)24-10-6-4-5-7-11-24/h8-9,12H,3-7,10-11,13-14H2,1-2H3