4-(2-tert-butylsulfanylethylamino)-3-nitro-chromen-2-one

Systemtic Name: 4-(2-tert-butylsulfanylethylamino)-3-nitro-chromen-2-one Openeye Name: 4-(2-tert-butylsulfanylethylamino)-3-nitro-chromen-2-one CAS Name: 4-[2-(tert-butylthio)ethylamino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(2-tert-butylsulfanylethylamino)-3-nitrochromen-2-one Traditional Name: 4-[2-(tert-butylthio)ethylamino]-3-nitro-coumarin Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SCCNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O4S/c1-15(2,3)22-9-8-16-12-10-6-4-5-7-11(10)21-14(18)13(12)17(19)20/h4-7,16H,8-9H2,1-3H3