7-methoxy-4-methyl-3-(4-nitrophenyl)sulfanyl-chromen-2-one

Systemtic Name: 7-methoxy-4-methyl-3-(4-nitrophenyl)sulfanyl-chromen-2-one Openeye Name: 7-methoxy-4-methyl-3-(4-nitrophenyl)sulfanyl-chromen-2-one CAS Name: 7-methoxy-4-methyl-3-[(4-nitrophenyl)thio]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-methyl-3-(4-nitrophenyl)sulfanylchromen-2-one Traditional Name: 7-methoxy-4-methyl-3-[(4-nitrophenyl)thio]coumarin Formula: C17H13NO5S MolecularWeight: 343.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5S/c1-10-14-8-5-12(22-2)9-15(14)23-17(19)16(10)24-13-6-3-11(4-7-13)18(20)21/h3-9H,1-2H3