methyl 2-[2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-6-methoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-oxoethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylacetyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CC(=O)OC

InChI

InChI=1S/C21H27N3O5S2/c1-28-15-7-8-16-17(11-15)31-21(24(16)12-20(27)29-2)22-18(25)13-30-14-19(26)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,12-14H2,1-2H3