2-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]ethanoic acid Openeye Name: 2-[2-(m-tolyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid CAS Name: 2-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid IUPAC Name: 2-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid Traditional Name: 2-[2-(m-tolyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]acetic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CC(=O)O)CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CC(=O)O)CCCC3

InChI

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