methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)OC)C

InChI

InChI=1S/C21H28N2O3S2/c1-8-14-12(2)28-18(17(14)19(24)26-7)23-20(27)22-15-11-13(21(3,4)5)9-10-16(15)25-6/h9-11H,8H2,1-7H3,(H2,22,23,27)