6-ethyl-7-oxidanyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[(2R)-2-(2-thienyl)pyrrolidin-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(2R)-2-(2-thienyl)pyrrolidino]methyl]coumarin Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCC3C4=CC=CS4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC[C@@H]3C4=CC=CS4)O

InChI

InChI=1S/C20H21NO3S/c1-2-13-9-15-14(10-20(23)24-18(15)11-17(13)22)12-21-7-3-5-16(21)19-6-4-8-25-19/h4,6,8-11,16,22H,2-3,5,7,12H2,1H3/t16-/m1/s1