2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetic acid CAS Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetic acid IUPAC Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetic acid Traditional Name: 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]acetic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)O

InChI

InChI=1S/C17H18N2O2S/c1-11-5-4-6-12(9-11)16-18-14-8-3-2-7-13(14)17(19-16)22-10-15(20)21/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,21)