methyl 2-[(3S,4R)-4-[(4-chloranyl-3-cyano-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-ethoxy-piperidin-1-yl]-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(3S,4R)-4-[(4-chloranyl-3-cyano-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-ethoxy-piperidin-1-yl]-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3S,4R)-4-[(4-chloro-3-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-ethoxy-1-piperidyl]-4-[1-(2-methoxyethyl)imidazol-2-yl]thiazole-5-carboxylate CAS Name: 2-[(3S,4R)-4-[[(4-chloro-3-cyano-5-methyl-1H-pyrrol-2-yl)-oxomethyl]amino]-3-ethoxy-1-piperidinyl]-4-[1-(2-methoxyethyl)-2-imidazolyl]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3S,4R)-4-[(4-chloro-3-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-ethoxypiperidin-1-yl]-4-[1-(2-methoxyethyl)imidazol-2-yl]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3S,4R)-4-[(4-chloro-3-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-ethoxy-piperidino]-4-[1-(2-methoxyethyl)imidazol-2-yl]thiazole-5-carboxylic acid methyl ester Formula: C25H30ClN7O5S MolecularWeight: 576.0676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCC1NC(=O)C2=C(C(=C(N2)C)Cl)C#N)C3=NC(=C(S3)C(=O)OC)C4=NC=CN4CCOC

Isomeric SMILES

CCO[C@H]1CN(CC[C@H]1NC(=O)C2=C(C(=C(N2)C)Cl)C#N)C3=NC(=C(S3)C(=O)OC)C4=NC=CN4CCOC

InChI

InChI=1S/C25H30ClN7O5S/c1-5-38-17-13-33(8-6-16(17)30-23(34)19-15(12-27)18(26)14(2)29-19)25-31-20(21(39-25)24(35)37-4)22-28-7-9-32(22)10-11-36-3/h7,9,16-17,29H,5-6,8,10-11,13H2,1-4H3,(H,30,34)/t16-,17+/m1/s1