4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C20H14N2O4S2 MolecularWeight: 410.46616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O4S2/c23-19-8-13(15-6-11-2-1-3-12(11)7-17(15)26-19)10-27-20-21-16-5-4-14(22(24)25)9-18(16)28-20/h4-9H,1-3,10H2