pentan-3-yl 2-chloranyl-5-(propan-2-yloxycarbothioylamino)benzoate

Systemtic Name: pentan-3-yl 2-chloranyl-5-(propan-2-yloxycarbothioylamino)benzoate Openeye Name: 1-ethylpropyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate CAS Name: 2-chloro-5-[[propan-2-yloxy(sulfanylidene)methyl]amino]benzoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate Traditional Name: 2-chloro-5-(isopropoxycarbothioylamino)benzoic acid 1-ethylpropyl ester Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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