6-ethyl-1-oxidanylidene-N-(2-propan-2-ylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 6-ethyl-1-oxidanylidene-N-(2-propan-2-ylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-ethyl-N-(2-isopropylsulfanylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-ethyl-1-oxo-N-[2-(propan-2-ylthio)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-ethyl-1-oxo-N-(2-propan-2-ylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-ethyl-N-[2-(isopropylthio)phenyl]-1-keto-isochroman-3-carboxamide Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=CC=C3SC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=CC=C3SC(C)C

InChI

InChI=1S/C21H23NO3S/c1-4-14-9-10-16-15(11-14)12-18(25-21(16)24)20(23)22-17-7-5-6-8-19(17)26-13(2)3/h5-11,13,18H,4,12H2,1-3H3,(H,22,23)