3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carbothioic S-acid

Systemtic Name: 3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carbothioic S-acid Openeye Name: 3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carbothioic S-acid CAS Name: 3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarbothioic S-acid IUPAC Name: 3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carbothioic S-acid Traditional Name: 3-methyl-4-[3-(3-pyridylmethylamino)propoxy]thiocoumarilic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)S

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)S

InChI

InChI=1S/C19H20N2O3S/c1-13-17-15(6-2-7-16(17)24-18(13)19(22)25)23-10-4-9-21-12-14-5-3-8-20-11-14/h2-3,5-8,11,21H,4,9-10,12H2,1H3,(H,22,25)