ethyl (6R)-6-methyl-2-(thiophen-2-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-methyl-2-(thiophen-2-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-(2-thenoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O3S3/c1-3-23-17(22)14-11-7-6-10(2)9-13(11)26-16(14)20-18(24)19-15(21)12-5-4-8-25-12/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,19,20,21,24)/t10-/m1/s1