6-ethyl-7-oxidanyl-4-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one Openeye Name: 4-[[allyl(2-thienylmethyl)amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]chromen-2-one Traditional Name: 4-[[allyl(2-thenyl)amino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC=C)CC3=CC=CS3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC=C)CC3=CC=CS3)O

InChI

InChI=1S/C20H21NO3S/c1-3-7-21(13-16-6-5-8-25-16)12-15-10-20(23)24-19-11-18(22)14(4-2)9-17(15)19/h3,5-6,8-11,22H,1,4,7,12-13H2,2H3