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

Systemtic Name: methyl 2-[2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[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-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[(2-keto-2-pyrrolidino-ethyl)thio]acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCC3

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CSCC(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O4S2/c1-25-17(24)10-21-13-6-2-3-7-14(13)27-18(21)19-15(22)11-26-12-16(23)20-8-4-5-9-20/h2-3,6-7H,4-5,8-12H2,1H3