4-[[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-6,7-dimethyl-coumarin Formula: C25H25NO2S MolecularWeight: 403.5365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C25H25NO2S/c1-4-18-7-9-19(10-8-18)25(23-6-5-11-29-23)26-15-20-14-24(27)28-22-13-17(3)16(2)12-21(20)22/h5-14,25-26H,4,15H2,1-3H3/t25-/m1/s1