(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-phenylsulfanylethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H22O4S/c1-14(2)18-11-19-16(10-21(23)26-20(19)9-15(18)3)12-25-22(24)13-27-17-7-5-4-6-8-17/h4-11,14H,12-13H2,1-3H3