4-azanyl-3-propoxy-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carbothioic S-acid

Systemtic Name: 4-azanyl-3-propoxy-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carbothioic S-acid Openeye Name: 4-amino-3-propoxy-5-(3-pyridylmethyl)benzofuran-2-carbothioic S-acid CAS Name: 4-amino-3-propoxy-5-(3-pyridinylmethyl)-2-benzofurancarbothioic S-acid IUPAC Name: 4-amino-3-propoxy-5-(pyridin-3-ylmethyl)-1-benzofuran-2-carbothioic S-acid Traditional Name: 4-amino-3-propoxy-5-(3-pyridylmethyl)thiocoumarilic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(OC2=C1C(=C(C=C2)CC3=CN=CC=C3)N)C(=O)S

Isomeric SMILES

CCCOC1=C(OC2=C1C(=C(C=C2)CC3=CN=CC=C3)N)C(=O)S

InChI

InChI=1S/C18H18N2O3S/c1-2-8-22-16-14-13(23-17(16)18(21)24)6-5-12(15(14)19)9-11-4-3-7-20-10-11/h3-7,10H,2,8-9,19H2,1H3,(H,21,24)