6-ethyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 6-ethyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-ethyl-N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: 6-ethyl-N-[5-[(4-methoxyphenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-ethyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-ethyl-1-keto-N-(5-p-anisylthiazol-2-yl)isochroman-3-carboxamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H22N2O4S/c1-3-14-6-9-19-16(10-14)12-20(29-22(19)27)21(26)25-23-24-13-18(30-23)11-15-4-7-17(28-2)8-5-15/h4-10,13,20H,3,11-12H2,1-2H3,(H,24,25,26)