4-(3-butoxypropylamino)-3-nitro-thiochromen-2-one

Systemtic Name: 4-(3-butoxypropylamino)-3-nitro-thiochromen-2-one Openeye Name: 4-(3-butoxypropylamino)-3-nitro-thiochromen-2-one CAS Name: 4-(3-butoxypropylamino)-3-nitro-1-benzothiopyran-2-one IUPAC Name: 4-(3-butoxypropylamino)-3-nitrothiochromen-2-one Traditional Name: 4-(3-butoxypropylamino)-3-nitro-thiochromen-2-one Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CCCCOCCCNC1=C(C(=O)SC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4S/c1-2-3-10-22-11-6-9-17-14-12-7-4-5-8-13(12)23-16(19)15(14)18(20)21/h4-5,7-8,17H,2-3,6,9-11H2,1H3