[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (1-allophanoyl-2-methyl-propyl) ester Formula: C14H17ClN2O5S MolecularWeight: 360.81318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC(=O)C1=CC=C(S1)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC(=O)C1=CC=C(S1)Cl

InChI

InChI=1S/C14H17ClN2O5S/c1-7(2)12(13(20)17-14(16)21)22-11(19)6-3-8(18)9-4-5-10(15)23-9/h4-5,7,12H,3,6H2,1-2H3,(H3,16,17,20,21)