1-(4-hydroxyphenyl)-2-(2-thiomorpholin-4-ylethyl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(4-hydroxyphenyl)-2-(2-thiomorpholin-4-ylethyl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(4-hydroxyphenyl)-2-(2-thiomorpholinoethyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(4-hydroxyphenyl)-2-(2-thiomorpholin-4-ylethyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(4-hydroxyphenyl)-2-(2-thiomorpholin-4-ylethyl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(4-hydroxyphenyl)-2-(2-thiomorpholinoethyl)-1H-isoquinoline-4-carboxylic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCN2C=C(C3=CC=CC=C3C2C4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

C1CSCCN1CCN2C=C(C3=CC=CC=C3C2C4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C22H24N2O3S/c25-17-7-5-16(6-8-17)21-19-4-2-1-3-18(19)20(22(26)27)15-24(21)10-9-23-11-13-28-14-12-23/h1-8,15,21,25H,9-14H2,(H,26,27)