2-[[6-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H19N3O5S2/c1-13(25)28-10-11-30-20-23-15-7-6-14(12-18(15)31-20)22-19(26)8-9-24-16-4-2-3-5-17(16)29-21(24)27/h2-7,12H,8-11H2,1H3,(H,22,26)