3-(2,5-dimethylphenyl)sulfanyl-7-propoxy-chromen-2-one

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanyl-7-propoxy-chromen-2-one Openeye Name: 3-(2,5-dimethylphenyl)sulfanyl-7-propoxy-chromen-2-one CAS Name: 3-[(2,5-dimethylphenyl)thio]-7-propoxy-1-benzopyran-2-one IUPAC Name: 3-(2,5-dimethylphenyl)sulfanyl-7-propoxychromen-2-one Traditional Name: 3-[(2,5-dimethylphenyl)thio]-7-propoxy-coumarin Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)SC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)SC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H20O3S/c1-4-9-22-16-8-7-15-11-19(20(21)23-17(15)12-16)24-18-10-13(2)5-6-14(18)3/h5-8,10-12H,4,9H2,1-3H3