N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CCN1C2=CC(=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C21H24N2O4S2/c1-5-23-18-13-14(2)12-15(3)20(18)28-21(23)22-19(24)10-11-29(25,26)17-8-6-16(27-4)7-9-17/h6-9,12-13H,5,10-11H2,1-4H3