ethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NOC(=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NOC(=C3)C(C)(C)C

InChI

InChI=1S/C22H25N3O3S2/c1-5-27-20(26)16-12-15(11-14-9-7-6-8-10-14)30-19(16)24-21(29)23-18-13-17(28-25-18)22(2,3)4/h6-10,12-13H,5,11H2,1-4H3,(H2,23,24,25,29)