ethyl (6S)-2-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(1-ethylpyrazole-4-carbonyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)OCC

InChI

InChI=1S/C19H24N4O3S2/c1-4-23-10-12(9-20-23)16(24)21-19(27)22-17-15(18(25)26-5-2)13-7-6-11(3)8-14(13)28-17/h9-11H,4-8H2,1-3H3,(H2,21,22,24,27)/t11-/m0/s1