pentan-3-yl 2-chloranyl-5-[(2-methylfuran-3-yl)carbothioylamino]benzoate

Systemtic Name: pentan-3-yl 2-chloranyl-5-[(2-methylfuran-3-yl)carbothioylamino]benzoate Openeye Name: 1-ethylpropyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate CAS Name: 2-chloro-5-[[(2-methyl-3-furanyl)-sulfanylidenemethyl]amino]benzoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate Traditional Name: 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoic acid 1-ethylpropyl ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=C(OC=C2)C)Cl

Isomeric SMILES

CCC(CC)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=C(OC=C2)C)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-4-13(5-2)23-18(21)15-10-12(6-7-16(15)19)20-17(24)14-8-9-22-11(14)3/h6-10,13H,4-5H2,1-3H3,(H,20,24)