S-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzenecarbothioate Openeye Name: S-[2-(2,6-dimethylanilino)-2-oxo-ethyl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2,6-dimethylanilino)-2-oxoethyl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4S/c1-11-4-3-5-12(2)16(11)18-15(20)10-24-17(21)13-6-8-14(9-7-13)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)