tert-butyl 2-chloranyl-5-[(2-methylpropan-2-yl)oxycarbothioylamino]benzoate

Systemtic Name: tert-butyl 2-chloranyl-5-[(2-methylpropan-2-yl)oxycarbothioylamino]benzoate Openeye Name: tert-butyl 5-(tert-butoxycarbothioylamino)-2-chloro-benzoate CAS Name: 2-chloro-5-[[(2-methylpropan-2-yl)oxy-sulfanylidenemethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-5-[(2-methylpropan-2-yl)oxycarbothioylamino]benzoate Traditional Name: 5-(tert-butoxycarbothioylamino)-2-chloro-benzoic acid tert-butyl ester Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)(C)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)(C)C)Cl

InChI

InChI=1S/C16H22ClNO3S/c1-15(2,3)20-13(19)11-9-10(7-8-12(11)17)18-14(22)21-16(4,5)6/h7-9H,1-6H3,(H,18,22)