N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-methyl-6-oxidanyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-methyl-6-oxidanyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-2-methyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: N-(3,5-dimethyl-4-isoxazolyl)-6-hydroxy-7-methoxy-2-methyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-6-hydroxy-7-methoxy-2-methyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-2-methyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4=CC=CS4)C

InChI

InChI=1S/C21H21N3O4S/c1-11-19(12(2)28-23-11)22-21(26)15-10-24(3)20(18-6-5-7-29-18)14-9-17(27-4)16(25)8-13(14)15/h5-10,20,25H,1-4H3,(H,22,26)