methyl 4-[[(2R)-7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(2R)-7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2R)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[(2R)-5-(5-acetyl-2-thiophenyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[(2R)-5-(5-acetyl-2-thienyl)-7-chloro-coumaran-2-yl]methylamino]-4-keto-butyric acid methyl ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=CC3=C(C(=C2)Cl)O[C@H](C3)CNC(=O)CCC(=O)OC

InChI

InChI=1S/C20H20ClNO5S/c1-11(23)16-3-4-17(28-16)12-7-13-8-14(27-20(13)15(21)9-12)10-22-18(24)5-6-19(25)26-2/h3-4,7,9,14H,5-6,8,10H2,1-2H3,(H,22,24)/t14-/m1/s1