methyl 2-[[(3-ethoxyphenyl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(3-ethoxyphenyl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(3-ethoxybenzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(3-ethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-ethoxybenzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(3-ethoxybenzoyl)amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C19H21N3O4S2/c1-3-26-12-7-4-6-11(10-12)16(23)21-22-19(27)20-17-15(18(24)25-2)13-8-5-9-14(13)28-17/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,21,23)(H2,20,22,27)