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

Systemtic Name: ethyl 2-[6-ethoxy-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[1-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[2-[(2-keto-2-pyrrolidino-ethyl)thio]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCC3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCC3)S2)CC(=O)OCC

InChI

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