(6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[[(cyclohexylamino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C20H29N2O3S- MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)NC3CCCCC3

InChI

InChI=1S/C20H30N2O3S/c1-20(2,3)12-9-10-14-15(11-12)26-17(16(14)18(23)24)22-19(25)21-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H,23,24)(H2,21,22,25)/p-1/t12-/m0/s1