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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide Traditional Name: N-homoveratryl-4-(3-keto-1,4-benzothiazin-4-yl)butyramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)CSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)CSC3=CC=CC=C32)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-18-10-9-16(14-19(18)28-2)11-12-23-21(25)8-5-13-24-17-6-3-4-7-20(17)29-15-22(24)26/h3-4,6-7,9-10,14H,5,8,11-13,15H2,1-2H3,(H,23,25)