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

Systemtic Name: 7-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]coumarin Formula: C18H12N2O4S2 MolecularWeight: 384.42888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O4S2/c1-10-2-4-13-11(7-17(21)24-15(13)6-10)9-25-18-19-14-5-3-12(20(22)23)8-16(14)26-18/h2-8H,9H2,1H3