methyl 6-chloranyl-4-[2-(hydroxymethyl)thiophen-3-yl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-4-[2-(hydroxymethyl)thiophen-3-yl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 6-chloro-4-[2-(hydroxymethyl)-3-thienyl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-isoquinoline-3-carboxylate CAS Name: 6-chloro-4-[2-(hydroxymethyl)-3-thiophenyl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-4-[2-(hydroxymethyl)thiophen-3-yl]-2-[(4-methoxycarbonylphenyl)methyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(4-carbomethoxybenzyl)-6-chloro-1-keto-4-(2-methylol-3-thienyl)isoquinoline-3-carboxylic acid methyl ester Formula: C25H20ClNO6S MolecularWeight: 497.9474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=C(SC=C4)CO)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=C(SC=C4)CO)C(=O)OC

InChI

InChI=1S/C25H20ClNO6S/c1-32-24(30)15-5-3-14(4-6-15)12-27-22(25(31)33-2)21(18-9-10-34-20(18)13-28)19-11-16(26)7-8-17(19)23(27)29/h3-11,28H,12-13H2,1-2H3