N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-benzylsulfonyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]propionamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCOC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCOC)C

InChI

InChI=1S/C22H26N2O4S2/c1-16-13-17(2)21-19(14-16)24(10-11-28-3)22(29-21)23-20(25)9-12-30(26,27)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3