6-ethyl-4-[[(2-methyl-1-thiophen-2-yl-propyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[(2-methyl-1-thiophen-2-yl-propyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[[2-methyl-1-(2-thienyl)propyl]amino]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[2-methyl-1-(2-thienyl)propyl]amino]methyl]coumarin Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC(C3=CC=CS3)C(C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC(C3=CC=CS3)C(C)C)O

InChI

InChI=1S/C20H23NO3S/c1-4-13-8-15-14(9-19(23)24-17(15)10-16(13)22)11-21-20(12(2)3)18-6-5-7-25-18/h5-10,12,20-22H,4,11H2,1-3H3