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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=COC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=COC5=CC=CC=C5C4=O

InChI

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