7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one

Systemtic Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one Openeye Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one CAS Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-1-benzopyran-2-one IUPAC Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methylchromen-2-one Traditional Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-coumarin Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N=C=S)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N=C=S)C

InChI

InChI=1S/C21H20N2O2S/c1-4-23(5-2)17-10-11-18-14(3)20(21(24)25-19(18)12-17)15-6-8-16(9-7-15)22-13-26/h6-12H,4-5H2,1-3H3