ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OCC

InChI

InChI=1S/C19H26N4O5S2/c1-3-14-17(18(24)28-4-2)15(22-19(25)21-14)12-29-16-8-7-13(11-20-16)30(26,27)23-9-5-6-10-23/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H2,21,22,25)/t14-/m0/s1