4-[[6-chloranyl-4-[3-(hydroxymethyl)thiophen-2-yl]-3-methoxycarbonyl-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-chloranyl-4-[3-(hydroxymethyl)thiophen-2-yl]-3-methoxycarbonyl-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid Openeye Name: 4-[[6-chloro-4-[3-(hydroxymethyl)-2-thienyl]-3-methoxycarbonyl-1-oxo-2-isoquinolyl]methyl]benzoic acid CAS Name: 4-[[6-chloro-4-[3-(hydroxymethyl)-2-thiophenyl]-3-methoxycarbonyl-1-oxo-2-isoquinolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-chloro-4-[3-(hydroxymethyl)thiophen-2-yl]-3-methoxycarbonyl-1-oxoisoquinolin-2-yl]methyl]benzoic acid Traditional Name: 4-[[3-carbomethoxy-6-chloro-1-keto-4-(3-methylol-2-thienyl)-2-isoquinolyl]methyl]benzoic acid Formula: C24H18ClNO6S MolecularWeight: 483.92082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)C(=O)O)C4=C(C=CS4)CO

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)C(=O)O)C4=C(C=CS4)CO

InChI

InChI=1S/C24H18ClNO6S/c1-32-24(31)20-19(21-15(12-27)8-9-33-21)18-10-16(25)6-7-17(18)22(28)26(20)11-13-2-4-14(5-3-13)23(29)30/h2-10,27H,11-12H2,1H3,(H,29,30)