[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C13H10Cl2N2O4S MolecularWeight: 361.2005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2N2O4S/c1-5(11(18)17-13(16)20)21-12(19)10-9(15)7-3-2-6(14)4-8(7)22-10/h2-5H,1H3,(H3,16,17,18,20)