(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic 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 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H24O4S MolecularWeight: 396.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCSC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCSC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H24O4S/c1-15(2)19-13-20-17(12-23(25)27-21(20)11-16(19)3)14-26-22(24)9-10-28-18-7-5-4-6-8-18/h4-8,11-13,15H,9-10,14H2,1-3H3