N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-besyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CCOC

InChI

InChI=1S/C21H24N2O4S2/c1-16-10-11-18-19(15-16)28-21(23(18)12-13-27-2)22-20(24)9-6-14-29(25,26)17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3