4-methyl-7-[[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylphenyl]methoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonylphenyl]methoxy]chromen-2-one Openeye Name: 4-methyl-7-[[4-[4-(2-thienylmethyl)piperazine-1-carbonyl]phenyl]methoxy]chromen-2-one CAS Name: 4-methyl-7-[[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]methoxy]chromen-2-one Traditional Name: 4-methyl-7-[4-[4-(2-thenyl)piperazine-1-carbonyl]benzyl]oxy-coumarin Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C27H26N2O4S/c1-19-15-26(30)33-25-16-22(8-9-24(19)25)32-18-20-4-6-21(7-5-20)27(31)29-12-10-28(11-13-29)17-23-3-2-14-34-23/h2-9,14-16H,10-13,17-18H2,1H3