methyl 4-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanylmethyl]benzoate Openeye Name: methyl 4-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanylmethyl]benzoate CAS Name: 4-[[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-ethyl-2-oxochromen-4-yl)methylsulfanylmethyl]benzoate Traditional Name: 4-[[(7-ethyl-2-keto-chromen-4-yl)methylthio]methyl]benzoic acid methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20O4S/c1-3-14-6-9-18-17(11-20(22)25-19(18)10-14)13-26-12-15-4-7-16(8-5-15)21(23)24-2/h4-11H,3,12-13H2,1-2H3