quinolin-2-ylmethyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: quinolin-2-ylmethyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: 2-quinolylmethyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid 2-quinolylmethyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S/c21-18(12-25-16-9-7-15(8-10-16)20(22)23)24-11-14-6-5-13-3-1-2-4-17(13)19-14/h1-10H,11-12H2