7-methoxy-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]coumarin Formula: C18H12N2O5S2 MolecularWeight: 400.42828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O5S2/c1-24-12-3-4-13-10(6-17(21)25-15(13)8-12)9-26-18-19-14-5-2-11(20(22)23)7-16(14)27-18/h2-8H,9H2,1H3