4-(4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Openeye Name: 4-(4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid CAS Name: 4-(4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid IUPAC Name: 4-(4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Traditional Name: 4-(4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C1C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2OC3=C1C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C18H12N2O3S/c21-18(22)11-7-5-10(6-8-11)15-19-16-13(17(24)20-15)9-12-3-1-2-4-14(12)23-16/h1-8H,9H2,(H,21,22)(H,19,20,24)