5-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[(6S)-4-keto-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]methyl]-2-furoic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C15H16N2O4S/c1-8-2-4-11-10(6-8)13(18)17-15(16-11)22-7-9-3-5-12(21-9)14(19)20/h3,5,8H,2,4,6-7H2,1H3,(H,19,20)(H,16,17,18)/t8-/m0/s1