N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide Traditional Name: N-homoveratryl-3-(2-keto-1,3-benzothiazol-3-yl)propionamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C3=CC=CC=C3SC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C3=CC=CC=C3SC2=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-25-16-8-7-14(13-17(16)26-2)9-11-21-19(23)10-12-22-15-5-3-4-6-18(15)27-20(22)24/h3-8,13H,9-12H2,1-2H3,(H,21,23)