2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(veratrylamino)ethyl]thio]benzoate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2C(=O)[O-])OC

InChI

InChI=1S/C18H19NO5S/c1-23-14-8-7-12(9-15(14)24-2)10-19-17(20)11-25-16-6-4-3-5-13(16)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)/p-1