6-chloranyl-7-methyl-4-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[[(2R)-tetrahydrofuran-2-yl]methyl-(2-thienylmethyl)amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(2R)-2-oxolanyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[(2R)-tetrahydrofuran-2-yl]methyl-(2-thenyl)amino]methyl]coumarin Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(CC3CCCO3)CC4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C[C@H]3CCCO3)CC4=CC=CS4)Cl

InChI

InChI=1S/C21H22ClNO3S/c1-14-8-20-18(10-19(14)22)15(9-21(24)26-20)11-23(12-16-4-2-6-25-16)13-17-5-3-7-27-17/h3,5,7-10,16H,2,4,6,11-13H2,1H3/t16-/m1/s1