(3S)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[5-[(4-ethylphenyl)methyl]-2-thiazolyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[5-(4-ethylbenzyl)thiazol-2-yl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C28H24N2O3S MolecularWeight: 468.56676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O3S/c1-2-18-8-10-19(11-9-18)14-23-17-29-28(34-23)30-26(31)21-12-13-24-22(15-21)16-25(33-27(24)32)20-6-4-3-5-7-20/h3-13,15,17,25H,2,14,16H2,1H3,(H,29,30,31)/t25-/m0/s1