ethyl 5-bromanyl-3-[2-(1,3,4-thiadiazol-2-ylamino)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[2-(1,3,4-thiadiazol-2-ylamino)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[2-(1,3,4-thiadiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[2-(1,3,4-thiadiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-(1,3,4-thiadiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C15H14BrN5O3S MolecularWeight: 424.27236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CNC3=NN=CS3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CNC3=NN=CS3

InChI

InChI=1S/C15H14BrN5O3S/c1-2-24-14(23)13-12(9-5-8(16)3-4-10(9)19-13)20-11(22)6-17-15-21-18-7-25-15/h3-5,7,19H,2,6H2,1H3,(H,17,21)(H,20,22)