N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C21H19N3O4S/c1-12-13-6-4-5-7-14(13)20(26)24(12)9-8-19(25)23-21-22-15-10-16(27-2)17(28-3)11-18(15)29-21/h4-7,10-11H,1,8-9H2,2-3H3,(H,22,23,25)