(6S)-6-tert-butyl-N-(2-methoxyphenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-tert-butyl-N-(2-methoxyphenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-tert-butyl-N-(2-methoxyphenyl)-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-tert-butyl-N-(2-methoxyphenyl)-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-tert-butyl-N-(2-methoxyphenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-tert-butyl-N-(2-methoxyphenyl)-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)C[C@H](CC2)C(C)(C)C)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C23H30N2O3S/c1-6-19(26)25-22-20(21(27)24-16-9-7-8-10-17(16)28-5)15-12-11-14(23(2,3)4)13-18(15)29-22/h7-10,14H,6,11-13H2,1-5H3,(H,24,27)(H,25,26)/t14-/m0/s1