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

Systemtic Name: ethyl 2-[(2-bromophenyl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-bromobenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromobenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-bromobenzoyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H17BrN2O3S2 MolecularWeight: 453.37318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN2O3S2/c1-2-24-17(23)14-11-7-5-9-13(11)26-16(14)21-18(25)20-15(22)10-6-3-4-8-12(10)19/h3-4,6,8H,2,5,7,9H2,1H3,(H2,20,21,22,25)