7-ethyl-4-[(4-nitrophenyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[(4-nitrophenyl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-nitrophenyl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(4-nitrophenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-nitrophenyl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(4-nitrophenyl)thio]methyl]coumarin Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO4S/c1-2-12-3-8-16-13(10-18(20)23-17(16)9-12)11-24-15-6-4-14(5-7-15)19(21)22/h3-10H,2,11H2,1H3