naphthalen-1-ylmethyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: naphthalen-1-ylmethyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: 1-naphthylmethyl 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid 1-naphthylmethyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S/c21-20(24)14-8-9-18(17(10-14)22(25)26)28-12-19(23)27-11-15-6-3-5-13-4-1-2-7-16(13)15/h1-10H,11-12H2,(H2,21,24)