N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

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