6,7-dimethyl-4-[(2-thiophen-2-ylethylamino)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(2-thiophen-2-ylethylamino)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[2-(2-thienyl)ethylamino]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(2-thiophen-2-ylethylamino)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(2-thiophen-2-ylethylamino)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[2-(2-thienyl)ethylamino]methyl]coumarin Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCC3=CC=CS3)C

InChI

InChI=1S/C18H19NO2S/c1-12-8-16-14(10-18(20)21-17(16)9-13(12)2)11-19-6-5-15-4-3-7-22-15/h3-4,7-10,19H,5-6,11H2,1-2H3