4-(7-methyl-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(7-methyl-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Openeye Name: 4-(7-methyl-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid CAS Name: 4-(7-methyl-4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid IUPAC Name: 4-(7-methyl-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Traditional Name: 4-(7-methyl-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid Formula: C19H14N2O3S MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2)C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2)C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H14N2O3S/c1-10-2-7-15-13(8-10)9-14-17(24-15)20-16(21-18(14)25)11-3-5-12(6-4-11)19(22)23/h2-8H,9H2,1H3,(H,22,23)(H,20,21,25)