ethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NOC(=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NOC(=C3)C(C)(C)C

InChI

InChI=1S/C19H25N3O3S2/c1-5-24-17(23)15-11-8-6-7-9-12(11)27-16(15)21-18(26)20-14-10-13(25-22-14)19(2,3)4/h10H,5-9H2,1-4H3,(H2,20,21,22,26)