3-(1-benzothiophen-2-yl)-7-oxidanyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(1-benzothiophen-2-yl)-7-oxidanyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(benzothiophen-2-yl)-7-hydroxy-4-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]chromen-2-one CAS Name: 3-(1-benzothiophen-2-yl)-7-hydroxy-4-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(1-benzothiophen-2-yl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(benzothiophen-2-yl)-7-hydroxy-4-[4-(2-piperidinoethoxy)benzyl]coumarin Formula: C31H29NO4S MolecularWeight: 511.63126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C31H29NO4S/c33-23-10-13-25-26(18-21-8-11-24(12-9-21)35-17-16-32-14-4-1-5-15-32)30(31(34)36-27(25)20-23)29-19-22-6-2-3-7-28(22)37-29/h2-3,6-13,19-20,33H,1,4-5,14-18H2