methyl 2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H26N2O4S2/c1-12-5-7-14(3)16(9-12)28-11-18(25)23-22(29)24-20-19(21(26)27-4)15-8-6-13(2)10-17(15)30-20/h5,7,9,13H,6,8,10-11H2,1-4H3,(H2,23,24,25,29)