methyl (6R)-2-[[(4-ethyl-5-methyl-thiophen-3-yl)carbonylamino]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-[[(4-ethyl-5-methyl-thiophen-3-yl)carbonylamino]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[[(4-ethyl-5-methyl-thiophene-3-carbonyl)amino]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[[[(4-ethyl-5-methyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[[(4-ethyl-5-methylthiophene-3-carbonyl)amino]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[(4-ethyl-5-methyl-thiophene-3-carbonyl)amino]thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S3 MolecularWeight: 451.6258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C(=O)NNC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)C

Isomeric SMILES

CCC1=C(SC=C1C(=O)NNC(=S)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)OC)C

InChI

InChI=1S/C20H25N3O3S3/c1-5-12-11(3)28-9-14(12)17(24)22-23-20(27)21-18-16(19(25)26-4)13-7-6-10(2)8-15(13)29-18/h9-10H,5-8H2,1-4H3,(H,22,24)(H2,21,23,27)/t10-/m1/s1