ethyl 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2COC(O2)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2COC(O2)(C)C

InChI

InChI=1S/C16H22N2O4S/c1-4-20-14(19)11-6-5-7-12(8-11)18-15(23)17-9-13-10-21-16(2,3)22-13/h5-8,13H,4,9-10H2,1-3H3,(H2,17,18,23)