methyl (6R)-2-[(2-methylpyrazol-3-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-[(2-methylpyrazol-3-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(2-methylpyrazole-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(2-methylpyrazole-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(2-methylpyrazole-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H21N3O3S/c1-24-16(10-11-22-24)19(25)23-20-18(21(26)27-2)15-9-8-14(12-17(15)28-20)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,23,25)/t14-/m1/s1