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

Systemtic Name: 5-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]methyl]-2-thenoic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C14H14N2O3S2/c17-12-9-3-1-2-4-10(9)15-14(16-12)20-7-8-5-6-11(21-8)13(18)19/h5-6H,1-4,7H2,(H,18,19)(H,15,16,17)