ethyl 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H27BrN2O4S2 MolecularWeight: 539.50548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC(C)C

InChI

InChI=1S/C23H27BrN2O4S2/c1-4-29-22(28)19-15-6-5-7-18(15)32-21(19)26-23(31)25-20(27)16-12-14(24)8-9-17(16)30-11-10-13(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,25,26,27,31)