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

Systemtic Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]methyl]-7-hydroxy-coumarin Formula: C23H21NO3S MolecularWeight: 391.48274

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3S/c1-2-15-5-7-16(8-6-15)23(21-4-3-11-28-21)24-14-17-12-22(26)27-20-13-18(25)9-10-19(17)20/h3-13,23-25H,2,14H2,1H3/t23-/m1/s1