2-(4-oxidanylidenechromen-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(4-oxidanylidenechromen-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(4-oxochromen-2-yl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-oxo-1-benzopyran-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(4-oxochromen-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-ketochromen-2-yl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C19H14N2O3S MolecularWeight: 350.39106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC(=O)C5=CC=CC=C5O4

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C19H14N2O3S/c22-12-9-14(24-13-7-3-1-5-10(12)13)17-20-18(23)16-11-6-2-4-8-15(11)25-19(16)21-17/h1,3,5,7,9H,2,4,6,8H2,(H,20,21,23)