ethyl 2-[(3S,4R)-4-[(4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methyl-piperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3S,4R)-4-[(4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methyl-piperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3S,4R)-4-[(4-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methyl-1-piperidyl]-4-pyrazin-2-yl-thiazole-5-carboxylate CAS Name: 2-[(3S,4R)-4-[[(4-chloro-5-methyl-1H-pyrrol-2-yl)-oxomethyl]amino]-3-methyl-1-piperidinyl]-4-(2-pyrazinyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3S,4R)-4-[(4-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3S,4R)-4-[(4-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methyl-piperidino]-4-pyrazin-2-yl-thiazole-5-carboxylic acid ethyl ester Formula: C22H25ClN6O3S MolecularWeight: 488.9903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2CCC(C(C2)C)NC(=O)C3=CC(=C(N3)C)Cl)C4=NC=CN=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2CC[C@H]([C@H](C2)C)NC(=O)C3=CC(=C(N3)C)Cl)C4=NC=CN=C4

InChI

InChI=1S/C22H25ClN6O3S/c1-4-32-21(31)19-18(17-10-24-6-7-25-17)28-22(33-19)29-8-5-15(12(2)11-29)27-20(30)16-9-14(23)13(3)26-16/h6-7,9-10,12,15,26H,4-5,8,11H2,1-3H3,(H,27,30)/t12-,15+/m0/s1