methyl 4-(9-ethoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate

Systemtic Name: methyl 4-(9-ethoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: methyl 4-(9-ethoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(9-ethoxy-4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(9-ethoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(9-ethoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC3=C(C2)C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC2=C1OC3=C(C2)C(=S)N=C(N3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18N2O4S/c1-3-26-16-6-4-5-14-11-15-19(27-17(14)16)22-18(23-20(15)28)12-7-9-13(10-8-12)21(24)25-2/h4-10H,3,11H2,1-2H3,(H,22,23,28)