3-butyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylic acid

Systemtic Name: 3-butyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylic acid Openeye Name: 3-butyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-carboxylic acid CAS Name: 3-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylic acid IUPAC Name: 3-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylic acid Traditional Name: 3-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-carboxylic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1C(=O)O)SC3=C2CCCC3

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1C(=O)O)SC3=C2CCCC3

InChI

InChI=1S/C15H18N2O3S/c1-2-3-8-17-12(15(19)20)16-13-11(14(17)18)9-6-4-5-7-10(9)21-13/h2-8H2,1H3,(H,19,20)