tert-butyl 2-[2-chloranyl-5-[(2-methylfuran-3-yl)carbothioylamino]phenyl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[2-chloranyl-5-[(2-methylfuran-3-yl)carbothioylamino]phenyl]sulfanylethanoate Openeye Name: tert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-5-[[(2-methyl-3-furanyl)-sulfanylidenemethyl]amino]phenyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]thio]acetic acid tert-butyl ester Formula: C18H20ClNO3S2 MolecularWeight: 397.9393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C18H20ClNO3S2/c1-11-13(7-8-22-11)17(24)20-12-5-6-14(19)15(9-12)25-10-16(21)23-18(2,3)4/h5-9H,10H2,1-4H3,(H,20,24)