4,5-dimethoxy-2-(2-oxidanylidene-2-phenylazanyl-ethyl)benzenethiolate

Systemtic Name: 4,5-dimethoxy-2-(2-oxidanylidene-2-phenylazanyl-ethyl)benzenethiolate Openeye Name: 2-(2-anilino-2-oxo-ethyl)-4,5-dimethoxy-benzenethiolate CAS Name: 2-(2-anilino-2-oxoethyl)-4,5-dimethoxybenzenethiolate IUPAC Name: 2-(2-anilino-2-oxoethyl)-4,5-dimethoxybenzenethiolate Traditional Name: 2-(2-anilino-2-keto-ethyl)-4,5-dimethoxy-benzenethiolate Formula: C16H16NO3S- MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NC2=CC=CC=C2)[S-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NC2=CC=CC=C2)[S-])OC

InChI

InChI=1S/C16H17NO3S/c1-19-13-8-11(15(21)10-14(13)20-2)9-16(18)17-12-6-4-3-5-7-12/h3-8,10,21H,9H2,1-2H3,(H,17,18)/p-1