7-ethyl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]amino]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]amino]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[[(2R)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]amino]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[[(2R)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[(2R)-2-pyrrolidino-2-(2-thienyl)ethyl]amino]methyl]coumarin Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC[C@H](C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C22H26N2O2S/c1-2-16-7-8-18-17(13-22(25)26-20(18)12-16)14-23-15-19(21-6-5-11-27-21)24-9-3-4-10-24/h5-8,11-13,19,23H,2-4,9-10,14-15H2,1H3/t19-/m1/s1