4-[[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C24H23NO3S MolecularWeight: 405.50932

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=C3C=CC(=C4C)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C24H23NO3S/c1-3-16-6-8-17(9-7-16)23(21-5-4-12-29-21)25-14-18-13-22(27)28-24-15(2)20(26)11-10-19(18)24/h4-13,23,25-26H,3,14H2,1-2H3/t23-/m1/s1