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

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[[(2R)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(2R)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[(2R)-2-pyrrolidino-2-(2-thienyl)ethyl]amino]methyl]coumarin Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCC(C3=CC=CS3)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC[C@H](C3=CC=CS3)N4CCCC4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-14-9-19-16(11-17(14)22)15(10-21(25)26-19)12-23-13-18(20-5-4-8-27-20)24-6-2-3-7-24/h4-5,8-11,18,23H,2-3,6-7,12-13H2,1H3/t18-/m1/s1