2-[[6-[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4

InChI

InChI=1S/C21H21N3O5S2/c1-13(25)28-7-8-30-21-23-17-5-4-15(10-18(17)31-21)22-20(27)14-9-19(26)24(11-14)12-16-3-2-6-29-16/h2-6,10,14H,7-9,11-12H2,1H3,(H,22,27)