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

Systemtic Name: ethyl 6-methyl-2-(pentanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-(pentanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(pentanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(valerylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC

InChI

InChI=1S/C18H26N2O3S2/c1-4-6-7-14(21)19-18(24)20-16-15(17(22)23-5-2)12-9-8-11(3)10-13(12)25-16/h11H,4-10H2,1-3H3,(H2,19,20,21,24)