methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NOC(=C2)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NOC(=C2)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S2/c1-12-16(13-9-7-6-8-10-13)17(19(25)26-5)18(29-12)23-20(28)22-15-11-14(27-24-15)21(2,3)4/h6-11H,1-5H3,(H2,22,23,24,28)