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

Systemtic Name: ethyl 2-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-isopropoxy-benzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-propan-2-yloxybenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-isopropoxy-benzoyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H23BrN2O4S2 MolecularWeight: 511.45232

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S2/c1-4-27-20(26)17-13-6-5-7-16(13)30-19(17)24-21(29)23-18(25)14-10-12(22)8-9-15(14)28-11(2)3/h8-11H,4-7H2,1-3H3,(H2,23,24,25,29)