3,4-diethyl-5-(4-isothiocyanatophenyl)-7-methyl-chromen-2-one

Systemtic Name: 3,4-diethyl-5-(4-isothiocyanatophenyl)-7-methyl-chromen-2-one Openeye Name: 3,4-diethyl-5-(4-isothiocyanatophenyl)-7-methyl-chromen-2-one CAS Name: 3,4-diethyl-5-(4-isothiocyanatophenyl)-7-methyl-1-benzopyran-2-one IUPAC Name: 3,4-diethyl-5-(4-isothiocyanatophenyl)-7-methylchromen-2-one Traditional Name: 3,4-diethyl-5-(4-isothiocyanatophenyl)-7-methyl-coumarin Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)OC2=C1C(=CC(=C2)C)C3=CC=C(C=C3)N=C=S)CC

Isomeric SMILES

CCC1=C(C(=O)OC2=C1C(=CC(=C2)C)C3=CC=C(C=C3)N=C=S)CC

InChI

InChI=1S/C21H19NO2S/c1-4-16-17(5-2)21(23)24-19-11-13(3)10-18(20(16)19)14-6-8-15(9-7-14)22-12-25/h6-11H,4-5H2,1-3H3