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

Systemtic Name: 3-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid Openeye Name: 3-[2-(m-tolyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid CAS Name: 3-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid IUPAC Name: 3-[2-(3-methylphenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]propanoic acid Traditional Name: 3-[2-(m-tolyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl]propionic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CCC(=O)O)CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CCC(=O)O)CCCC3

InChI

InChI=1S/C18H20N2O2S/c1-12-5-4-6-13(11-12)17-19-18(23)14-7-2-3-8-15(14)20(17)10-9-16(21)22/h4-6,11H,2-3,7-10H2,1H3,(H,21,22)