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

Systemtic Name: ethyl 2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S2/c1-2-31-25(30)22-20-12-7-13-21(20)35-24(22)28-26(34)27-23(29)17-8-6-11-19(16-17)33-15-14-32-18-9-4-3-5-10-18/h3-6,8-11,16H,2,7,12-15H2,1H3,(H2,27,28,29,34)