3-[6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]chromen-2-one

Systemtic Name: 3-[6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]chromen-2-one Openeye Name: 3-[6-(1,3-benzodioxol-5-yl)-2-thioxo-5,6-dihydro-1H-pyrimidin-4-yl]chromen-2-one CAS Name: 3-[6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]-1-benzopyran-2-one IUPAC Name: 3-[6-(1,3-benzodioxol-5-yl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]chromen-2-one Traditional Name: 3-[6-(1,3-benzodioxol-5-yl)-2-thioxo-5,6-dihydro-1H-pyrimidin-4-yl]coumarin Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=S)N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(NC(=S)N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H14N2O4S/c23-19-13(7-12-3-1-2-4-16(12)26-19)15-9-14(21-20(27)22-15)11-5-6-17-18(8-11)25-10-24-17/h1-8,14H,9-10H2,(H,21,27)