(1S,6S)-6-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[(S)-(4-isopropylphenyl)-(2-thienyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[oxo-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[(S)-p-cumenyl(2-thienyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H24NO3S- MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C22H25NO3S/c1-14(2)15-9-11-16(12-10-15)20(19-8-5-13-27-19)23-21(24)17-6-3-4-7-18(17)22(25)26/h3-5,8-14,17-18,20H,6-7H2,1-2H3,(H,23,24)(H,25,26)/p-1/t17-,18-,20-/m0/s1