3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1-methylene-3-oxo-isoindolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1-methylene-3-oxo-2-isoindolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(1-keto-3-methylene-isoindolin-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N3O4S2/c1-12-14-5-3-4-6-15(14)19(25)23(12)10-9-18(24)22-20-21-16-8-7-13(29(2,26)27)11-17(16)28-20/h3-8,11H,1,9-10H2,2H3,(H,21,22,24)