ethyl 2-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-methoxy-6-oxohexyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H26N2O4S2/c1-3-24-17(22)15-12-8-7-9-13(12)26-16(15)20-18(25)19-11-6-4-5-10-14(21)23-2/h3-11H2,1-2H3,(H2,19,20,25)