N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N3O4S/c1-13-15-4-2-3-5-16(15)21(27)25(13)9-8-20(26)24-22-23-17(11-30-22)14-6-7-18-19(10-14)29-12-28-18/h2-7,10-11H,1,8-9,12H2,(H,23,24,26)