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

Systemtic Name: methyl 2-[6-ethoxy-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-3-28-14-6-7-15-16(10-14)30-20(23(15)11-19(26)27-2)21-17(24)12-29-13-18(25)22-8-4-5-9-22/h6-7,10H,3-5,8-9,11-13H2,1-2H3