N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

InChI

InChI=1S/C21H17N3O4S/c1-3-9-24-19(26)14-7-5-12(10-15(14)20(24)27)18(25)23-21-22-16-8-6-13(28-4-2)11-17(16)29-21/h3,5-8,10-11H,1,4,9H2,2H3,(H,22,23,25)