N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]propanamide Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSCCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSCCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H31N3O4S/c1-5-32-22-14-19-13-17(2)33-23(19)15-20(22)16-34-12-11-24(30)27-25-18(3)28(4)29(26(25)31)21-9-7-6-8-10-21/h6-10,14-15,17H,5,11-13,16H2,1-4H3,(H,27,30)