(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClO4S/c1-14-4-9-18-15(12-21(24)26-19(18)11-14)13-25-20(23)3-2-10-27-17-7-5-16(22)6-8-17/h4-9,11-12H,2-3,10,13H2,1H3