N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)C

InChI

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