6,7-dimethyl-4-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[tetrahydrofuran-2-ylmethyl(2-thienylmethyl)amino]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[2-oxolanylmethyl(thiophen-2-ylmethyl)amino]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[tetrahydrofurfuryl(2-thenyl)amino]methyl]coumarin Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC3CCCO3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC3CCCO3)CC4=CC=CS4)C

InChI

InChI=1S/C22H25NO3S/c1-15-9-20-17(11-22(24)26-21(20)10-16(15)2)12-23(13-18-5-3-7-25-18)14-19-6-4-8-27-19/h4,6,8-11,18H,3,5,7,12-14H2,1-2H3