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

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

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO3S/c1-3-16-6-8-17(9-7-16)24(22-5-4-12-29-22)25-15-18-13-23(26)28-21-14-19(27-2)10-11-20(18)21/h4-14,24-25H,3,15H2,1-2H3/t24-/m1/s1