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

Systemtic Name: 7-ethyl-4-[[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]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(=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC3=CC(=O)OC4=C3C=CC(=C4)CC

InChI

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