ethyl 1,2,5-trimethyl-4-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-[(4-methylthiazol-2-yl)carbamoyl]-1-piperidyl]sulfonyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[3-[(4-methylthiazol-2-yl)carbamoyl]piperidino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H28N4O5S2 MolecularWeight: 468.59012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC(=CS3)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC(=CS3)C)C)C)C

InChI

InChI=1S/C20H28N4O5S2/c1-6-29-19(26)16-13(3)23(5)14(4)17(16)31(27,28)24-9-7-8-15(10-24)18(25)22-20-21-12(2)11-30-20/h11,15H,6-10H2,1-5H3,(H,21,22,25)