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

Systemtic Name: methyl 2-(butanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(butanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(butanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(butyrylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C15H20N2O3S2/c1-3-6-11(18)16-15(21)17-13-12(14(19)20-2)9-7-4-5-8-10(9)22-13/h3-8H2,1-2H3,(H2,16,17,18,21)