ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(tert-butoxycarbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(tert-butoxycarbonylamino)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N3O4S2/c1-5-26-17(24)15-12-14(11-13-9-7-6-8-10-13)29-16(15)21-18(28)22-23-19(25)27-20(2,3)4/h6-10,12H,5,11H2,1-4H3,(H,23,25)(H2,21,22,28)