methyl 2-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-sec-butoxybenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-sec-butoxybenzoyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C21H24N2O4S2/c1-4-12(2)27-14-10-8-13(9-11-14)18(24)22-21(28)23-19-17(20(25)26-3)15-6-5-7-16(15)29-19/h8-12H,4-7H2,1-3H3,(H2,22,23,24,28)