[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S/c1-10(2)15(16(24)21-19(20)26)27-18(25)14-9-13-11(3)22-23(17(13)28-14)12-7-5-4-6-8-12/h4-10,15H,1-3H3,(H3,20,21,24,26)