tert-butyl 5-(butan-2-yloxycarbothioylamino)-2-chloranyl-benzoate

Systemtic Name: tert-butyl 5-(butan-2-yloxycarbothioylamino)-2-chloranyl-benzoate Openeye Name: tert-butyl 2-chloro-5-(sec-butoxycarbothioylamino)benzoate CAS Name: 5-[[butan-2-yloxy(sulfanylidene)methyl]amino]-2-chlorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(butan-2-yloxycarbothioylamino)-2-chlorobenzoate Traditional Name: 2-chloro-5-(sec-butoxycarbothioylamino)benzoic acid tert-butyl ester Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H22ClNO3S/c1-6-10(2)20-15(22)18-11-7-8-13(17)12(9-11)14(19)21-16(3,4)5/h7-10H,6H2,1-5H3,(H,18,22)