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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-homoveratryl-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)CSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)CSC3=CC=CC=C32)OC

InChI

InChI=1S/C21H24N2O4S/c1-26-17-8-7-15(13-18(17)27-2)9-11-22-20(24)10-12-23-16-5-3-4-6-19(16)28-14-21(23)25/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)