tert-butyl 4-[4-[(5-methoxycarbonyl-1-methyl-pyrrol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(5-methoxycarbonyl-1-methyl-pyrrol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(5-methoxycarbonyl-1-methyl-pyrrol-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(5-methoxycarbonyl-1-methyl-3-pyrrolyl)amino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(5-carbomethoxy-1-methyl-pyrrol-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CN(C(=C3)C(=O)OC)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CN(C(=C3)C(=O)OC)C

InChI

InChI=1S/C21H28N4O5S/c1-21(2,3)30-20(28)25-8-6-13(7-9-25)18-23-15(12-31-18)17(26)22-14-10-16(19(27)29-5)24(4)11-14/h10-13H,6-9H2,1-5H3,(H,22,26)