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

Systemtic Name: methyl (6S)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S2/c1-5-23-10-13(12(3)22-23)9-20-19(26)21-17-16(18(24)25-4)14-7-6-11(2)8-15(14)27-17/h10-11H,5-9H2,1-4H3,(H2,20,21,26)/t11-/m0/s1