6-chloranyl-7-methyl-4-[[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[[(R)-p-tolyl(2-thienyl)methyl]amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[(R)-p-tolyl(2-thienyl)methyl]amino]methyl]coumarin Formula: C23H20ClNO2S MolecularWeight: 409.9284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C23H20ClNO2S/c1-14-5-7-16(8-6-14)23(21-4-3-9-28-21)25-13-17-11-22(26)27-20-10-15(2)19(24)12-18(17)20/h3-12,23,25H,13H2,1-2H3/t23-/m1/s1