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

Systemtic Name: ethyl 2-(ethylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(ethylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(ethylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(ethylthiocarbamoylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C2=C(S1)CCC(C2)C)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(C2=C(S1)CCC(C2)C)C(=O)OCC

InChI

InChI=1S/C15H22N2O2S2/c1-4-16-15(20)17-13-12(14(18)19-5-2)10-8-9(3)6-7-11(10)21-13/h9H,4-8H2,1-3H3,(H2,16,17,20)