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

Systemtic Name: 6,7-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]coumarin Formula: C19H14N2O4S2 MolecularWeight: 398.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H14N2O4S2/c1-10-5-14-12(7-18(22)25-16(14)6-11(10)2)9-26-19-20-15-4-3-13(21(23)24)8-17(15)27-19/h3-8H,9H2,1-2H3