ethyl (2R)-2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(4-chloro-3-methylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC=C(O1)COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC=C(O1)COC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C18H20ClNO5S/c1-3-23-18(22)15(10-26)20-17(21)16-7-5-13(25-16)9-24-12-4-6-14(19)11(2)8-12/h4-8,15,26H,3,9-10H2,1-2H3,(H,20,21)/t15-/m0/s1