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

Systemtic Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-7,8-dimethyl-coumarin Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO2S/c1-4-18-8-10-19(11-9-18)24(22-6-5-13-29-22)26-15-20-14-23(27)28-25-17(3)16(2)7-12-21(20)25/h5-14,24,26H,4,15H2,1-3H3/t24-/m1/s1