N-(6-ethanoyl-2,2-dimethyl-3-oxidanyl-4H-chromen-3-yl)-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: N-(6-ethanoyl-2,2-dimethyl-3-oxidanyl-4H-chromen-3-yl)-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: N-(6-acetyl-3-hydroxy-2,2-dimethyl-chroman-3-yl)-3-thioxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: N-(6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl)-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: N-(6-acetyl-3-hydroxy-2,2-dimethyl-4H-chromen-3-yl)-3-sulfanylidenecyclohexa-1,5-diene-1-carboxamide Traditional Name: N-(6-acetyl-3-hydroxy-2,2-dimethyl-chroman-3-yl)-3-thioxo-cyclohexa-1,5-diene-1-carboxamide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(C2)(NC(=O)C3=CC(=S)CC=C3)O)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC(C(C2)(NC(=O)C3=CC(=S)CC=C3)O)(C)C

InChI

InChI=1S/C20H21NO4S/c1-12(22)13-7-8-17-15(9-13)11-20(24,19(2,3)25-17)21-18(23)14-5-4-6-16(26)10-14/h4-5,7-10,24H,6,11H2,1-3H3,(H,21,23)