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

Systemtic Name: methyl 1-cyclopropyl-2,5-dimethyl-4-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]pyrrole-3-carboxylate Openeye Name: methyl 1-cyclopropyl-2,5-dimethyl-4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-4-[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopropyl-2,5-dimethyl-4-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-4-[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

CC1=C(C(=C(N1C2CC2)C)C(=O)OC)C(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C17H19N3O4S/c1-9-14(12(21)8-25-17-18-7-6-13(22)19-17)15(16(23)24-3)10(2)20(9)11-4-5-11/h6-7,11H,4-5,8H2,1-3H3,(H,18,19,22)