ethyl 5-[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[[6-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[[6-(2-methoxy-2-oxo-ethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[[6-(2-methoxy-2-oxoethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-keto-6-(2-keto-2-methoxy-ethyl)-1H-pyrimidin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)C

InChI

InChI=1S/C18H21N3O6S/c1-5-27-17(25)15-9(2)16(19-10(15)3)12(22)8-28-18-20-11(6-13(23)21-18)7-14(24)26-4/h6,19H,5,7-8H2,1-4H3,(H,20,21,23)