ethyl 6-methyl-2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[3-(4-morpholinosulfonylphenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[[3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[3-(4-morpholinosulfonylphenyl)propanoylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H33N3O6S3 MolecularWeight: 579.75172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H33N3O6S3/c1-3-35-25(31)23-20-10-4-17(2)16-21(20)37-24(23)28-26(36)27-22(30)11-7-18-5-8-19(9-6-18)38(32,33)29-12-14-34-15-13-29/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3,(H2,27,28,30,36)