ethyl 1-[4-[[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[[4-(5-carbamoyl-1H-pyrrol-3-yl)-2-thiazolyl]amino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N)C

InChI

InChI=1S/C22H20N6O4S/c1-3-32-21(31)16-10-25-28(12(16)2)15-6-4-13(5-7-15)20(30)27-22-26-18(11-33-22)14-8-17(19(23)29)24-9-14/h4-11,24H,3H2,1-2H3,(H2,23,29)(H,26,27,30)