3-ethyl-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-ethyl-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-ethyl-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-ethyl-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-ethyl-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-ethyl-6-methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C17H22N2O5S/c1-6-19-14(13(16(20)21)9(2)18-17(19)25)10-7-11(22-3)15(24-5)12(8-10)23-4/h7-8,14H,6H2,1-5H3,(H,18,25)(H,20,21)