dimethyl 5-[(2-methyl-1H-indol-3-yl)carbonyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 5-[(2-methyl-1H-indol-3-yl)carbonyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 5-(2-methyl-1H-indole-3-carbonyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate CAS Name: 5-[(2-methyl-1H-indol-3-yl)-oxomethyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-methyl-1H-indole-3-carbonyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate Traditional Name: 5-(2-methyl-1H-indole-3-carbonyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C3=C(NC(=S)N=C3C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C3=C(NC(=S)N=C3C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H15N3O5S/c1-8-11(9-6-4-5-7-10(9)19-8)15(22)12-13(16(23)25-2)20-18(27)21-14(12)17(24)26-3/h4-7,19H,1-3H3,(H,20,21,27)