N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C)C#N

InChI

InChI=1S/C21H18N4O4S/c1-11-14(12(2)23-20(27)15(11)8-22)4-6-19(26)25-21-24-16(9-30-21)13-3-5-17-18(7-13)29-10-28-17/h3,5,7,9H,4,6,10H2,1-2H3,(H,23,27)(H,24,25,26)