ethyl 5-bromanyl-3-(3-thiomorpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(3-thiomorpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-(3-thiomorpholinopropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(1-oxo-3-thiomorpholin-4-ylpropyl)amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(3-thiomorpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3-thiomorpholinopropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C18H22BrN3O3S MolecularWeight: 440.35458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCSCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CCSCC3

InChI

InChI=1S/C18H22BrN3O3S/c1-2-25-18(24)17-16(13-11-12(19)3-4-14(13)20-17)21-15(23)5-6-22-7-9-26-10-8-22/h3-4,11,20H,2,5-10H2,1H3,(H,21,23)