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

Systemtic Name: ethyl 2-[2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-oxoethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylacetyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCCCC3)S2)CC(=O)OCC

InChI

InChI=1S/C23H31N3O5S2/c1-3-30-17-9-10-18-19(13-17)33-23(26(18)14-22(29)31-4-2)24-20(27)15-32-16-21(28)25-11-7-5-6-8-12-25/h9-10,13H,3-8,11-12,14-16H2,1-2H3