S-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-azanylbenzenecarbothioate

Systemtic Name: S-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-azanylbenzenecarbothioate Openeye Name: S-[2-(3-nitrophenyl)-2-oxo-ethyl] 2-aminobenzenecarbothioate CAS Name: 2-aminobenzenecarbothioic acid S-[2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: S-[2-(3-nitrophenyl)-2-oxoethyl] 2-aminobenzenecarbothioate Traditional Name: 2-aminothiobenzoic acid S-[2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H12N2O4S/c16-13-7-2-1-6-12(13)15(19)22-9-14(18)10-4-3-5-11(8-10)17(20)21/h1-8H,9,16H2