3',4'-bis(4-methoxyphenyl)spiro[1H-isothiochromene-3,5'-4H-1,2-oxazole]-4-one

Systemtic Name: 3',4'-bis(4-methoxyphenyl)spiro[1H-isothiochromene-3,5'-4H-1,2-oxazole]-4-one Openeye Name: 3,4-bis(4-methoxyphenyl)spiro[4H-isoxazole-5,3'-isothiochromane]-4'-one CAS Name: 3',4'-bis(4-methoxyphenyl)-4-spiro[1H-2-benzothiopyran-3,5'-4H-isoxazole]one IUPAC Name: 3',4'-bis(4-methoxyphenyl)spiro[1H-isothiochromene-3,5'-4H-1,2-oxazole]-4-one Traditional Name: 3,4-bis(4-methoxyphenyl)spiro[2-isoxazoline-5,3'-isothiochroman]-4'-one Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=NOC23C(=O)C4=CC=CC=C4CS3)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=NOC23C(=O)C4=CC=CC=C4CS3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H21NO4S/c1-28-19-11-7-16(8-12-19)22-23(17-9-13-20(29-2)14-10-17)26-30-25(22)24(27)21-6-4-3-5-18(21)15-31-25/h3-14,22H,15H2,1-2H3