4-(9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Openeye Name: 4-(9-methoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid CAS Name: 4-(9-methoxy-4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid IUPAC Name: 4-(9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Traditional Name: 4-(9-methoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=C(C2)C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OC3=C(C2)C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H14N2O4S/c1-24-14-4-2-3-12-9-13-17(25-15(12)14)20-16(21-18(13)26)10-5-7-11(8-6-10)19(22)23/h2-8H,9H2,1H3,(H,22,23)(H,20,21,26)