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

Systemtic Name: (6S)-2-(cyclohexylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-2-(cyclohexanecarbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[cyclohexyl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-2-(cyclohexanecarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-(cyclohexanecarbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C17H22NO3S- MolecularWeight: 320.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3CCCCC3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3CCCCC3

InChI

InChI=1S/C17H23NO3S/c1-10-7-8-12-13(9-10)22-16(14(12)17(20)21)18-15(19)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,18,19)(H,20,21)/p-1/t10-/m0/s1