[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-bromanyl-3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-bromanyl-3-chloranyl-1H-indole-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 5-bromo-3-chloro-1H-indole-2-carboxylate CAS Name: 5-bromo-3-chloro-1H-indole-2-carboxylic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-bromo-3-chloro-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-chloro-1H-indole-2-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C18H15BrClN3O4S MolecularWeight: 484.7514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)NC(=O)COC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)Cl

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)NC(=O)COC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)Cl

InChI

InChI=1S/C18H15BrClN3O4S/c19-10-3-4-13-12(8-10)15(20)16(22-13)17(25)27-9-14(24)23-18(26)21-6-5-11-2-1-7-28-11/h1-4,7-8,22H,5-6,9H2,(H2,21,23,24,26)